Chlorcyclizine

C₁₈H₂₁ClN₂ — CID 2710

About Chlorcyclizine

Chlorcyclizine (PubChem CID 2710) has the molecular formula C₁₈H₂₁ClN₂ and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine.

Molecular Properties

• Compound Name: Chlorcyclizine
• PubChem CID: 2710
• Molecular Formula: C₁₈H₂₁ClN₂
• Molecular Weight: 300.83 g/mol
• Exact Mass: 300.14
• IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine
• SMILES: CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3
• InChIKey: WFNAKBGANONZEQ-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.83
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Chlorcyclizine?

The IUPAC name of Chlorcyclizine (CID 2710) is 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine.

What is the SMILES notation for Chlorcyclizine?

The canonical SMILES for Chlorcyclizine is CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.

What is the InChIKey of Chlorcyclizine?

The InChIKey is WFNAKBGANONZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3.

What are the key properties of Chlorcyclizine?

Chlorcyclizine has a molecular weight of 300.83 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Chlorcyclizine is sourced from PubChem (CID 2710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2710 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 593 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.