[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine

C16H26N2 — CID 114594256

IUPAC[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
SMILESCc1cc(CN)ccc1N1CC(C)CC(C)C1C
InChIInChI=1S/C16H26N2/c1-11-7-12(2)14(4)18(10-11)16-6-5-15(9-17)8-13(16)3/h5-6,8,11-12,14H,7,9-10,17H2,1-4H3
InChIKeyPDDIKNODQOLIGC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.32
Rot. Bonds2

About [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine

[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine (PubChem CID 114594256) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
PubChem CID114594256
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
SMILESCc1cc(CN)ccc1N1CC(C)CC(C)C1C
InChIInChI=1S/C16H26N2/c1-11-7-12(2)14(4)18(10-11)16-6-5-15(9-17)8-13(16)3/h5-6,8,11-12,14H,7,9-10,17H2,1-4H3
InChIKeyPDDIKNODQOLIGC-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]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

[3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
CID 114592128
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106997178
[4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
CID 114592123
[5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol
CID 114054514
1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol
CID 130921105
3-iodo-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114591976
2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592004
5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592015
[4-(5-ethyl-2-methylmorpholin-4-yl)-3-methylphenyl]methanamine
CID 60929563
1-[4-(chloromethyl)-2-(trifluoromethyl)phenyl]-2,3,5-trimethylpiperidine
CID 114594078
[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine
CID 43122266
(1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939710

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine (CID 114594256) is [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine is Cc1cc(CN)ccc1N1CC(C)CC(C)C1C.
What is the InChIKey of [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is PDDIKNODQOLIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-7-12(2)14(4)18(10-11)16-6-5-15(9-17)8-13(16)3/h5-6,8,11-12,14H,7,9-10,17H2,1-4H3.
What are the key properties of [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine?
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 114594256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).