1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride

C28H29ClN2O2 — CID 53447387

IUPAC1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride
SMILESCl.N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28N2O2.ClH/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23;/h1-15H,16-21H2,(H,31,32);1H
InChIKeyVMIZTXDGZPTKIK-UHFFFAOYSA-N
MW461.01 g/mol
LogP5.43
Rot. Bonds7

About 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride

1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 53447387) has the molecular formula C28H29ClN2O2 and a molecular weight of 461.01 g/mol. Its IUPAC name is 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID53447387
Molecular FormulaC28H29ClN2O2
Molecular Weight461.01 g/mol
Exact Mass460.19
IUPAC Name1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride
SMILESCl.N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28N2O2.ClH/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23;/h1-15H,16-21H2,(H,31,32);1H
InChIKeyVMIZTXDGZPTKIK-UHFFFAOYSA-N
XLogP5.43
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.01
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride 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

Diphenoxylate
CID 13505
Diphenoxylate Hydrochloride
CID 6432394
Difenoxin
CID 34328
Levocabastine
CID 54385
Levocabastine hydrochloride
CID 54384
Meperidine acid
CID 101106
Levophta
CID 6917900
Cabastine
CID 3915
Ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate
CID 18956195
4-(Dimethylamino)-2,2-diphenylpentanoic acid
CID 219704
(3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidin-1-ium-4-carboxylate
CID 86295142
Levophta; R 50547
CID 189911

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride (CID 53447387) is 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride is Cl.N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is VMIZTXDGZPTKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2.ClH/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23;/h1-15H,16-21H2,(H,31,32);1H.
What are the key properties of 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride?
1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 461.01 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 53447387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).