Buclizine

C₂₈H₃₃ClN₂ — CID 6729

About Buclizine

Buclizine (PubChem CID 6729) has the molecular formula C₂₈H₃₃ClN₂ and a molecular weight of 433.04 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine.

Molecular Properties

• Compound Name: Buclizine
• PubChem CID: 6729
• Molecular Formula: C₂₈H₃₃ClN₂
• Molecular Weight: 433.04 g/mol
• Exact Mass: 432.23
• IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine
• SMILES: CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1
• InChI: InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3
• InChIKey: MOYGZHXDRJNJEP-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.04
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Buclizine?

The IUPAC name of Buclizine (CID 6729) is 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine.

What is the SMILES notation for Buclizine?

The canonical SMILES for Buclizine is CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1.

What is the InChIKey of Buclizine?

The InChIKey is MOYGZHXDRJNJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3.

What are the key properties of Buclizine?

Buclizine has a molecular weight of 433.04 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Buclizine is sourced from PubChem (CID 6729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6729 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 416 — approved-drug record (CC BY-SA 4.0)

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