1-(1-phenylcyclohexyl)piperidine

• ChemBase ID: 3239
• Molecular Formular: C17H25N
• Molecular Mass: 243.3871
• Monoisotopic Mass: 243.19869981
• SMILES: N1(C2(CCCCC2)c2ccccc2)CCCCC1
• Canonical SMILES: C1CCC(CC1)(N1CCCCC1)c1ccccc1
• 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
• InChIKey: JTJMJGYZQZDUJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-phenylcyclohexyl)piperidine
• IUPAC Traditional name: phencyclidine; selma
• Synonyms: PCP; 1-(1-Phenylcyclohexyl)piperidine; 1-(1-Phenylcyclohexyl)piperidine hydrochloride; Angel dust; Busy bee; CJS; Cadillac; Crystal; DOA; DUST; Elephant tranquilizer; Fenciclidina [inn-spanish]; Magic mist; Phencyclidine hydrochloride; Phencyclidinum [inn-latin]; Phenylcyclidine hydrochloride; Rocket fuel; Sernyl; Sernylan; Stardust; Supergrass; Surfer; TIC; Trank; Tranks; Whack; Zombie dust; Phencyclidine; 1-(1-Phenylcyclohexyl)piperidine solution; PCP solution; Phencyclidine solution; 1-(1-苯基环己基)哌啶 溶液; PCP 溶液; 苯环利定 溶液

Database IDs

• CAS Number: 77-10-1
• MDL Number: MFCD00055598
• PubChem SID: 160966681; 46508889
• PubChem CID: 6468

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.996464
• LogD (pH = 7.4): 1.4359076
• Log P: 4.488048
• Molar Refractivity: 77.6465 cm^3
• Polarizability: 30.727394 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 5.31
• LOG S: -4.87
• Solubility (Water): 3.25e-03 g/l

PROPERTIES

Physical Property

• Flash Point: 11 °C; 51.8 °F
• Hydrophobicity(logP): 4.69 [SANGSTER (1994); ion-corrected avg]

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1230
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 16-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H331-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1230 3/PG 2
• Drug Control: regulated under CDSA - not available from Sigma-Aldrich Canada
• Storage Temperature: -20°C

Product Information

• Concentration: 1 mg/mL in methanol
• Grade: drug standard
• Empirical Formula (Hill Notation): C17H25N

DETAILS

DrugBank - DB03575

• Drug Groups: illicit; experimental
• Description: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to ketamine in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (receptors, N-methyl-D-aspartate). As a drug of abuse, it is known as PCP and Angel Dust. [PubChem]
• Pharmacology: Phencyclidine works primarily as an NMDA receptor antagonist, which blocks the activity of the NMDA Receptor.
• Affected Organisms: Humans and other mammals
• External Links: Wikipedia; Drugs.com