Phencyclidine

C₁₇H₂₅N — CID 6468

About Phencyclidine

Phencyclidine (PubChem CID 6468) has the molecular formula C₁₇H₂₅N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(1-phenylcyclohexyl)piperidine.

Molecular Properties

• Compound Name: Phencyclidine
• PubChem CID: 6468
• Molecular Formula: C₁₇H₂₅N
• Molecular Weight: 243.39 g/mol
• Exact Mass: 243.20
• IUPAC Name: 1-(1-phenylcyclohexyl)piperidine
• 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
• InChIKey: JTJMJGYZQZDUJJ-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.39
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Phencyclidine?

The IUPAC name of Phencyclidine (CID 6468) is 1-(1-phenylcyclohexyl)piperidine.

What is the SMILES notation for Phencyclidine?

The canonical SMILES for Phencyclidine is c1ccc(C2(N3CCCCC3)CCCCC2)cc1.

What is the InChIKey of Phencyclidine?

The InChIKey is JTJMJGYZQZDUJJ-UHFFFAOYSA-N. The full InChI is 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.

What are the key properties of Phencyclidine?

Phencyclidine has a molecular weight of 243.39 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Phencyclidine is sourced from PubChem (CID 6468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6468 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2121 — approved-drug record (CC BY-SA 4.0)

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