Hydroxyzine monohydrochloride

C21H28Cl2N2O2 — CID 71612

IUPAC2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;hydrochloride
SMILESC1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl
InChIInChI=1S/C21H27ClN2O2.ClH/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;1H
InChIKeyIPSVAUIEEPSJRZ-UHFFFAOYSA-N
MW411.40 g/mol
LogP—
Rot. Bonds8

About Hydroxyzine monohydrochloride

Hydroxyzine monohydrochloride (PubChem CID 71612) has the molecular formula C21H28Cl2N2O2 and a molecular weight of 411.40 g/mol. Its IUPAC name is 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;hydrochloride.

Molecular Properties

Compound NameHydroxyzine monohydrochloride
PubChem CID71612
Molecular FormulaC21H28Cl2N2O2
Molecular Weight411.40 g/mol
Exact Mass410.15
IUPAC Name2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;hydrochloride
SMILESC1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl
InChIInChI=1S/C21H27ClN2O2.ClH/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;1H
InChIKeyIPSVAUIEEPSJRZ-UHFFFAOYSA-N
XLogP—
TPSA35.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity376

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze Hydroxyzine monohydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cetirizine
CID 2678
Cetirizine Hydrochloride
CID 55182
Hydroxyzine
CID 3658
Levocetirizine Dihydrochloride
CID 9955977
Levocetirizine
CID 1549000
Hydroxyzine Hydrochloride
CID 91513
Etodroxizine
CID 63345
Cetirizine amide
CID 3068840
2-(2-(4-((4-Chlorophenyl)phenylmethyl)-1-oxido-1-piperazinyl)ethoxy)acetic acid
CID 45038602
(S)-Cetirizine
CID 150716
4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol
CID 3419898
(S)-Hydroxyzine
CID 1548976

Frequently Asked Questions

What is the IUPAC name of Hydroxyzine monohydrochloride?
The IUPAC name of Hydroxyzine monohydrochloride (CID 71612) is 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;hydrochloride.
What is the SMILES notation for Hydroxyzine monohydrochloride?
The canonical SMILES for Hydroxyzine monohydrochloride is C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.
What is the InChIKey of Hydroxyzine monohydrochloride?
The InChIKey is IPSVAUIEEPSJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2.ClH/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;1H.
What are the key properties of Hydroxyzine monohydrochloride?
Hydroxyzine monohydrochloride has a molecular weight of 411.40 g/mol, XLogP of not available, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Hydroxyzine monohydrochloride is sourced from PubChem (CID 71612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).