(3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride

C20H31ClN2O — CID 119796649

IUPAC(3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1ccc(C2C(C)CCCN2C(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-14-8-10-16(11-9-14)19-15(2)5-4-12-22(19)20(23)17-6-3-7-18(21)13-17;/h8-11,15,17-19H,3-7,12-13,21H2,1-2H3;1H
InChIKeyDLQJPNITEUFJES-UHFFFAOYSA-N
MW350.93 g/mol
LogP4.23
Rot. Bonds2

About (3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride

(3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119796649) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119796649
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name(3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1ccc(C2C(C)CCCN2C(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-14-8-10-16(11-9-14)19-15(2)5-4-12-22(19)20(23)17-6-3-7-18(21)13-17;/h8-11,15,17-19H,3-7,12-13,21H2,1-2H3;1H
InChIKeyDLQJPNITEUFJES-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119785074
[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone
CID 119330882
(3-aminocyclopentyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 119785073
2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 124595909
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119687293
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-aminocyclohexyl)methanone;hydrochloride
CID 119686901
(3-aminocyclohexyl)-(2-cyclobutylpyrrolidin-1-yl)methanone
CID 119765726
[(1R,3R)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147082
[(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147083
(3-aminocyclopentyl)-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 119771492
N-cyclopropyl-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide
CID 71874842
(3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 62777355

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride (CID 119796649) is (3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride is Cc1ccc(C2C(C)CCCN2C(=O)C2CCCC(N)C2)cc1.Cl.
What is the InChIKey of (3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is DLQJPNITEUFJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.ClH/c1-14-8-10-16(11-9-14)19-15(2)5-4-12-22(19)20(23)17-6-3-7-18(21)13-17;/h8-11,15,17-19H,3-7,12-13,21H2,1-2H3;1H.
What are the key properties of (3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride?
(3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119796649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).