Hydroxyzine

C₂₁H₂₇ClN₂O₂ — CID 3658

About Hydroxyzine

Hydroxyzine (PubChem CID 3658) has the molecular formula C₂₁H₂₇ClN₂O₂ and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

• Compound Name: Hydroxyzine
• PubChem CID: 3658
• Molecular Formula: C₂₁H₂₇ClN₂O₂
• Molecular Weight: 374.91 g/mol
• Exact Mass: 374.18
• IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol
• SMILES: OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2
• InChIKey: ZQDWXGKKHFNSQK-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.91
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Hydroxyzine?

The IUPAC name of Hydroxyzine (CID 3658) is 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol.

What is the SMILES notation for Hydroxyzine?

The canonical SMILES for Hydroxyzine is OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.

What is the InChIKey of Hydroxyzine?

The InChIKey is ZQDWXGKKHFNSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2.

What are the key properties of Hydroxyzine?

Hydroxyzine has a molecular weight of 374.91 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Hydroxyzine is sourced from PubChem (CID 3658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3658 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1400 — approved-drug record (CC BY-SA 4.0)

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