2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride

C21H28ClNO2 — CID 10090007

IUPAC2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc(C(O)CC2CCN(Cc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C21H27NO2.ClH/c1-24-20-9-7-19(8-10-20)21(23)15-17-11-13-22(14-12-17)16-18-5-3-2-4-6-18;/h2-10,17,21,23H,11-16H2,1H3;1H
InChIKeyGSZMZUHQPINTSB-UHFFFAOYSA-N
MW361.91 g/mol
LogP4.45
Rot. Bonds6

About 2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride

2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride (PubChem CID 10090007) has the molecular formula C21H28ClNO2 and a molecular weight of 361.91 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride
PubChem CID10090007
Molecular FormulaC21H28ClNO2
Molecular Weight361.91 g/mol
Exact Mass361.18
IUPAC Name2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc(C(O)CC2CCN(Cc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C21H27NO2.ClH/c1-24-20-9-7-19(8-10-20)21(23)15-17-11-13-22(14-12-17)16-18-5-3-2-4-6-18;/h2-10,17,21,23H,11-16H2,1H3;1H
InChIKeyGSZMZUHQPINTSB-UHFFFAOYSA-N
XLogP4.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.91
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride (CID 10090007) is 2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride is COc1ccc(C(O)CC2CCN(Cc3ccccc3)CC2)cc1.Cl.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride?
The InChIKey is GSZMZUHQPINTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2.ClH/c1-24-20-9-7-19(8-10-20)21(23)15-17-11-13-22(14-12-17)16-18-5-3-2-4-6-18;/h2-10,17,21,23H,11-16H2,1H3;1H.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride?
2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride has a molecular weight of 361.91 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 10090007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).