2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride

C34H39ClN2O — CID 70618720

IUPAC2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride
SMILESCOCCC1(c2ccccc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccn2)CC1.Cl
InChIInChI=1S/C34H38N2O.ClH/c1-37-28-23-33(29-13-5-2-6-14-29)20-25-36(26-21-33)27-22-34(30-15-7-3-8-16-30,31-17-9-4-10-18-31)32-19-11-12-24-35-32;/h2-19,24H,20-23,25-28H2,1H3;1H
InChIKeyVIVSHQZEJFIQJI-UHFFFAOYSA-N
MW527.15 g/mol
LogP7.30
Rot. Bonds10

About 2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride

2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride (PubChem CID 70618720) has the molecular formula C34H39ClN2O and a molecular weight of 527.15 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride
PubChem CID70618720
Molecular FormulaC34H39ClN2O
Molecular Weight527.15 g/mol
Exact Mass526.28
IUPAC Name2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride
SMILESCOCCC1(c2ccccc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccn2)CC1.Cl
InChIInChI=1S/C34H38N2O.ClH/c1-37-28-23-33(29-13-5-2-6-14-29)20-25-36(26-21-33)27-22-34(30-15-7-3-8-16-30,31-17-9-4-10-18-31)32-19-11-12-24-35-32;/h2-19,24H,20-23,25-28H2,1H3;1H
InChIKeyVIVSHQZEJFIQJI-UHFFFAOYSA-N
XLogP7.30
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.15
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;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-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride?
The IUPAC name of 2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride (CID 70618720) is 2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride.
What is the SMILES notation for 2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride?
The canonical SMILES for 2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride is COCCC1(c2ccccc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccn2)CC1.Cl.
What is the InChIKey of 2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride?
The InChIKey is VIVSHQZEJFIQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O.ClH/c1-37-28-23-33(29-13-5-2-6-14-29)20-25-36(26-21-33)27-22-34(30-15-7-3-8-16-30,31-17-9-4-10-18-31)32-19-11-12-24-35-32;/h2-19,24H,20-23,25-28H2,1H3;1H.
What are the key properties of 2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride?
2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride has a molecular weight of 527.15 g/mol, XLogP of 7.30, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride is sourced from PubChem (CID 70618720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).