[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine

C14H22N2 — CID 82393146

IUPAC[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine
SMILESCc1ccc([C@@H]2[C@@H](CN)CCCN2C)cc1
InChIInChI=1S/C14H22N2/c1-11-5-7-12(8-6-11)14-13(10-15)4-3-9-16(14)2/h5-8,13-14H,3-4,9-10,15H2,1-2H3/t13-,14-/m1/s1
InChIKeyPZYJQYWRBJUMOK-ZIAGYGMSSA-N
MW218.34 g/mol
LogP2.34
Rot. Bonds2

About [(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine

[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine (PubChem CID 82393146) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is [(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine
PubChem CID82393146
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine
SMILESCc1ccc([C@@H]2[C@@H](CN)CCCN2C)cc1
InChIInChI=1S/C14H22N2/c1-11-5-7-12(8-6-11)14-13(10-15)4-3-9-16(14)2/h5-8,13-14H,3-4,9-10,15H2,1-2H3/t13-,14-/m1/s1
InChIKeyPZYJQYWRBJUMOK-ZIAGYGMSSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-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

[(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine
CID 98208232
[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine
CID 114077559
[1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine
CID 104823698
[(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine
CID 95328752
[(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 95241129
[(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 91647555
[(2R,3S)-1-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine
CID 95240602
[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine
CID 113329185
[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine
CID 114075917
[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 66161524
tert-butyl 3-(aminomethyl)-2-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 84814865
(1,2-dimethylpiperidin-3-yl)methanamine
CID 83669908

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine?
The IUPAC name of [(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine (CID 82393146) is [(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine?
The canonical SMILES for [(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine is Cc1ccc([C@@H]2[C@@H](CN)CCCN2C)cc1.
What is the InChIKey of [(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine?
The InChIKey is PZYJQYWRBJUMOK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-5-7-12(8-6-11)14-13(10-15)4-3-9-16(14)2/h5-8,13-14H,3-4,9-10,15H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine?
[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 82393146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).