[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine

C16H26N2 — CID 103440793

IUPAC[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
SMILESCc1cccc(C)c1CN1CCC(C)CC1CN
InChIInChI=1S/C16H26N2/c1-12-7-8-18(15(9-12)10-17)11-16-13(2)5-4-6-14(16)3/h4-6,12,15H,7-11,17H2,1-3H3
InChIKeyBPQADVWRTHCKPG-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.86
Rot. Bonds3

About [1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine

[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 103440793) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID103440793
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
SMILESCc1cccc(C)c1CN1CCC(C)CC1CN
InChIInChI=1S/C16H26N2/c1-12-7-8-18(15(9-12)10-17)11-16-13(2)5-4-6-14(16)3/h4-6,12,15H,7-11,17H2,1-3H3
InChIKeyBPQADVWRTHCKPG-UHFFFAOYSA-N
XLogP2.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-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

[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine
CID 103440378
[4-methyl-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanamine
CID 103440446
[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440770
2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol
CID 103440726
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 103440567
[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440543
[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 107104835
[4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine
CID 103440529
[4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine
CID 103440531
[1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 107350343
[4-methyl-1-[(4-nitrophenyl)methyl]piperidin-2-yl]methanamine
CID 103440433
4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol
CID 107692148

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine (CID 103440793) is [1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine is Cc1cccc(C)c1CN1CCC(C)CC1CN.
What is the InChIKey of [1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is BPQADVWRTHCKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-7-8-18(15(9-12)10-17)11-16-13(2)5-4-6-14(16)3/h4-6,12,15H,7-11,17H2,1-3H3.
What are the key properties of [1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine?
[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103440793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).