(3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride

C20H31ClN2O — CID 119806563

IUPAC(3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1cccc(C2CCCCN2C(=O)C2CCCC(N)C2)c1C.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-14-7-5-10-18(15(14)2)19-11-3-4-12-22(19)20(23)16-8-6-9-17(21)13-16;/h5,7,10,16-17,19H,3-4,6,8-9,11-13,21H2,1-2H3;1H
InChIKeyHUHWKGRPRRXZBK-UHFFFAOYSA-N
MW350.93 g/mol
LogP4.30
Rot. Bonds2

About (3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride

(3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119806563) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119806563
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name(3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1cccc(C2CCCCN2C(=O)C2CCCC(N)C2)c1C.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-14-7-5-10-18(15(14)2)19-11-3-4-12-22(19)20(23)16-8-6-9-17(21)13-16;/h5,7,10,16-17,19H,3-4,6,8-9,11-13,21H2,1-2H3;1H
InChIKeyHUHWKGRPRRXZBK-UHFFFAOYSA-N
XLogP4.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride 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

[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 124678566
(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119785074
[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 124686929
2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone
CID 119336658
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119333493
4-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119336667
2-[2-(2,3-dimethylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120976383
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119800987
(3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119727217
(3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119771459
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119687293
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 119695947

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride (CID 119806563) is (3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride is Cc1cccc(C2CCCCN2C(=O)C2CCCC(N)C2)c1C.Cl.
What is the InChIKey of (3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is HUHWKGRPRRXZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.ClH/c1-14-7-5-10-18(15(14)2)19-11-3-4-12-22(19)20(23)16-8-6-9-17(21)13-16;/h5,7,10,16-17,19H,3-4,6,8-9,11-13,21H2,1-2H3;1H.
What are the key properties of (3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride?
(3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119806563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).