Chemical substance record

Phencyclidine

77-10-1C₁₇H₂₅N243.394 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects. — ChEBI

Safety references

Safety documents & references

Supplier matching matters

Find the safety document for your specific supplier, product number and grade.

Find a product-specific SDS

Search SDS PDFs Sigma-Aldrich Thermo Fisher

Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values

CAS number	77-10-1	ChEBI ↗
Molecular formula	C₁₇H₂₅N	ChEBI ↗
Molar mass	243.394 g/mol	ChEBI ↗
Monoisotopic mass	243.1987 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:8058	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	243.4 g/mol	PubChem ↗
Exact mass	243.198699802 Da	PubChem ↗
Computed XLogP	3.6	PubChem ↗
Topological polar surface area (Å²)	3.2	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	1	PubChem ↗
Rotatable bonds	2	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier

Source preferred name

phencyclidine

IUPAC name

1-(1-phenylcyclohexyl)piperidine

InChIKey

JTJMJGYZQZDUJJ-UHFFFAOYSA-N

SMILES

c1ccc(C2(N3CCCCC3)CCCCC2)cc1

InChI

InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2

Names & synonyms

1-(1-phenylcyclohexyl)piperidinefenciclidinaphencyclidinum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

benzenesChEBI parent class · 22712 ↗piperidinesChEBI parent class · 26151 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

psychotropic druganaestheticneurotoxinNMDA receptor antagonist

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00410856 mol

Uses 243.394 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 17 atoms

83.89%

H

Hydrogen · 25 atoms

10.35%

N

Nitrogen · 1 atom

5.75%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Effects of sustained phencyclidine exposure on sensorimotor gating of startle in rats. ↗Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology · 1999 Jul · PMID 10379517

Effects of repeated phencyclidine treatment on serotonin transporter in rat brain. ↗Neuroscience letters · 2000 Feb 11 · PMID 10696810

Search PubMed Google Scholar

Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:8058

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 6468 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

How this record was assembled Suggest a correction