4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline

C13H19ClN2 — CID 79018794

IUPAC4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline
SMILESCc1cc(Cl)ccc1NCC1CCNCC1
InChIInChI=1S/C13H19ClN2/c1-10-8-12(14)2-3-13(10)16-9-11-4-6-15-7-5-11/h2-3,8,11,15-16H,4-7,9H2,1H3
InChIKeyMLQLIMDDONOGKT-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.06
Rot. Bonds3

About 4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline

4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline (PubChem CID 79018794) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline
PubChem CID79018794
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline
SMILESCc1cc(Cl)ccc1NCC1CCNCC1
InChIInChI=1S/C13H19ClN2/c1-10-8-12(14)2-3-13(10)16-9-11-4-6-15-7-5-11/h2-3,8,11,15-16H,4-7,9H2,1H3
InChIKeyMLQLIMDDONOGKT-UHFFFAOYSA-N
XLogP3.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-methyl-N-(piperidin-4-ylmethyl)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

4-chloro-2-methyl-N-(oxan-4-ylmethyl)aniline
CID 62386096
3-methyl-4-(piperidin-4-ylmethylamino)benzoic acid
CID 79707293
5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209791
4-(1,1-difluoroethyl)-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115047377
2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline
CID 115209825
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline
CID 107527336
5-methyl-2-(piperidin-4-ylmethylamino)benzonitrile
CID 107931532
2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 79708126
2,4-dichloro-N-(cyclobutylmethyl)aniline
CID 65458024
5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
CID 80564049
6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 82191751

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline (CID 79018794) is 4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline is Cc1cc(Cl)ccc1NCC1CCNCC1.
What is the InChIKey of 4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is MLQLIMDDONOGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-8-12(14)2-3-13(10)16-9-11-4-6-15-7-5-11/h2-3,8,11,15-16H,4-7,9H2,1H3.
What are the key properties of 4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline?
4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 238.76 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 79018794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).