(4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride

C26H26Cl3NO2 — CID 52941528

IUPAC(4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
SMILESCN1CCC(C(=O)OCc2ccc(-c3ccccc3)cc2)(c2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C26H25Cl2NO2.ClH/c1-29-15-13-26(14-16-29,22-11-12-23(27)24(28)17-22)25(30)31-18-19-7-9-21(10-8-19)20-5-3-2-4-6-20;/h2-12,17H,13-16,18H2,1H3;1H
InChIKeyMGJSIJYVZLEDCH-UHFFFAOYSA-N
MW490.86 g/mol
LogP6.79
Rot. Bonds5

About (4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride

(4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride (PubChem CID 52941528) has the molecular formula C26H26Cl3NO2 and a molecular weight of 490.86 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
PubChem CID52941528
Molecular FormulaC26H26Cl3NO2
Molecular Weight490.86 g/mol
Exact Mass489.10
IUPAC Name(4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
SMILESCN1CCC(C(=O)OCc2ccc(-c3ccccc3)cc2)(c2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C26H25Cl2NO2.ClH/c1-29-15-13-26(14-16-29,22-11-12-23(27)24(28)17-22)25(30)31-18-19-7-9-21(10-8-19)20-5-3-2-4-6-20;/h2-12,17H,13-16,18H2,1H3;1H
InChIKeyMGJSIJYVZLEDCH-UHFFFAOYSA-N
XLogP6.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.86
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;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 (4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of (4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride (CID 52941528) is (4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for (4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for (4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride is CN1CCC(C(=O)OCc2ccc(-c3ccccc3)cc2)(c2ccc(Cl)c(Cl)c2)CC1.Cl.
What is the InChIKey of (4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is MGJSIJYVZLEDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2NO2.ClH/c1-29-15-13-26(14-16-29,22-11-12-23(27)24(28)17-22)25(30)31-18-19-7-9-21(10-8-19)20-5-3-2-4-6-20;/h2-12,17H,13-16,18H2,1H3;1H.
What are the key properties of (4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride?
(4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 490.86 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 52941528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).