1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride

C21H27ClN2O2 — CID 70230026

IUPAC1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(CCCN(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H26N2O2.ClH/c24-21(25)18-9-7-14-22(17-18)15-8-16-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20;/h1-6,10-13,18H,7-9,14-17H2,(H,24,25);1H
InChIKeyBRMVPXSGKYLHMP-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.43
Rot. Bonds7

About 1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride

1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride (PubChem CID 70230026) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride
PubChem CID70230026
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(CCCN(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H26N2O2.ClH/c24-21(25)18-9-7-14-22(17-18)15-8-16-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20;/h1-6,10-13,18H,7-9,14-17H2,(H,24,25);1H
InChIKeyBRMVPXSGKYLHMP-UHFFFAOYSA-N
XLogP4.43
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(N-phenylanilino)propyl]piperidine-3-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

(3R)-1-[6-(N-phenylanilino)hexyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261987
1-[2-[4-(N-phenylanilino)butoxy]ethyl]piperidine-3-carboxylic acid
CID 21266393
(3R)-1-[2-[2-[2-(N-phenylanilino)ethoxy]ethoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45265298
1-[2-[2-(N-(3-methylphenyl)anilino)ethoxy]ethyl]piperidine-3-carboxylic acid
CID 139817243
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
(3R)-1-[3-(10,12-dihydrobenzo[b][1,5]benzoxazocin-11-yl)propyl]piperidine-3-carboxylic acid
CID 22880169
(3R)-1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidine-3-carboxylic acid;hydrochloride
CID 70299237
1-[2-[2-[N-(2-methylpropyl)anilino]ethoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 67713574
(3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid
CID 22869120
1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride
CID 45261948
1-[4-(N-phenylanilino)butyl]piperidin-4-ol
CID 59372998
(3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid
CID 11079073

Frequently Asked Questions

What is the IUPAC name of 1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride (CID 70230026) is 1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCN(CCCN(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is BRMVPXSGKYLHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c24-21(25)18-9-7-14-22(17-18)15-8-16-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20;/h1-6,10-13,18H,7-9,14-17H2,(H,24,25);1H.
What are the key properties of 1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride?
1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 70230026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).