2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline

C18H20ClN3 — CID 7955344

IUPAC2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline
SMILESClc1ccccc1N/N=C\c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H20ClN3/c19-17-6-2-3-7-18(17)21-20-14-15-8-10-16(11-9-15)22-12-4-1-5-13-22/h2-3,6-11,14,21H,1,4-5,12-13H2/b20-14-
InChIKeyRXQIYQAUEOPERZ-ZHZULCJRSA-N
MW313.83 g/mol
LogP4.78
Rot. Bonds4

About 2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline

2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline (PubChem CID 7955344) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline
PubChem CID7955344
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline
SMILESClc1ccccc1N/N=C\c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H20ClN3/c19-17-6-2-3-7-18(17)21-20-14-15-8-10-16(11-9-15)22-12-4-1-5-13-22/h2-3,6-11,14,21H,1,4-5,12-13H2/b20-14-
InChIKeyRXQIYQAUEOPERZ-ZHZULCJRSA-N
XLogP4.78
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline 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

3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 110840362
4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 74856803
2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 45327412
N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841699
1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid
CID 169383937
N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108954901
N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline
CID 19655713
4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 135921319
N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933190
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 1281852
(E)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1-(4-piperidin-1-ylphenyl)methanimine
CID 172986311

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline?
The IUPAC name of 2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline (CID 7955344) is 2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline.
What is the SMILES notation for 2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline?
The canonical SMILES for 2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline is Clc1ccccc1N/N=C\c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline?
The InChIKey is RXQIYQAUEOPERZ-ZHZULCJRSA-N. The full InChI is InChI=1S/C18H20ClN3/c19-17-6-2-3-7-18(17)21-20-14-15-8-10-16(11-9-15)22-12-4-1-5-13-22/h2-3,6-11,14,21H,1,4-5,12-13H2/b20-14-.
What are the key properties of 2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline?
2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline has a molecular weight of 313.83 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline is sourced from PubChem (CID 7955344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).