[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine

C15H23ClN2 — CID 106865716

IUPAC[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCc1ccc(CN2CCC(C)C(CN)C2)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-11-3-4-13(15(16)7-11)9-18-6-5-12(2)14(8-17)10-18/h3-4,7,12,14H,5-6,8-10,17H2,1-2H3
InChIKeySBWGLZIHUPJMME-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.07
Rot. Bonds3

About [1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine

[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine (PubChem CID 106865716) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is [1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
PubChem CID106865716
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCc1ccc(CN2CCC(C)C(CN)C2)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-11-3-4-13(15(16)7-11)9-18-6-5-12(2)14(8-17)10-18/h3-4,7,12,14H,5-6,8-10,17H2,1-2H3
InChIKeySBWGLZIHUPJMME-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine 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

2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106864116
3-(2-chloroethyl)-1-[(2-chloro-4-methylphenyl)methyl]pyrrolidine
CID 106869928
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 106869306
[1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114960117
[1-[(2-chloroquinolin-3-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961489
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925159
1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79867288
[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961022
4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-N,N-dimethylaniline
CID 114959973
[1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114959752
3-tert-butyl-1-[(2-chloro-4-methylphenyl)methyl]piperazine
CID 106870295
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpyrrolidine
CID 115602343

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine (CID 106865716) is [1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine is Cc1ccc(CN2CCC(C)C(CN)C2)c(Cl)c1.
What is the InChIKey of [1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
The InChIKey is SBWGLZIHUPJMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-3-4-13(15(16)7-11)9-18-6-5-12(2)14(8-17)10-18/h3-4,7,12,14H,5-6,8-10,17H2,1-2H3.
What are the key properties of [1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine has a molecular weight of 266.82 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 106865716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).