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

C19H29ClN2O — CID 119785074

IUPAC(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1ccc(C2CCCCN2C(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-14-8-10-15(11-9-14)18-7-2-3-12-21(18)19(22)16-5-4-6-17(20)13-16;/h8-11,16-18H,2-7,12-13,20H2,1H3;1H
InChIKeyVLSMSWFQYIVTSQ-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.99
Rot. Bonds2

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

(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119785074) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119785074
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1ccc(C2CCCCN2C(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-14-8-10-15(11-9-14)18-7-2-3-12-21(18)19(22)16-5-4-6-17(20)13-16;/h8-11,16-18H,2-7,12-13,20H2,1H3;1H
InChIKeyVLSMSWFQYIVTSQ-UHFFFAOYSA-N
XLogP3.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclopentyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 119785073
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119687293
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 119695947
(3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119796649
(3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119806563
(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119698902
2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
(3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119727217
3-amino-2-methyl-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120500863
(3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone
CID 119788984
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-aminocyclohexyl)methanone;hydrochloride
CID 119686901

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride (CID 119785074) is (3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride is Cc1ccc(C2CCCCN2C(=O)C2CCCC(N)C2)cc1.Cl.
What is the InChIKey of (3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is VLSMSWFQYIVTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-14-8-10-15(11-9-14)18-7-2-3-12-21(18)19(22)16-5-4-6-17(20)13-16;/h8-11,16-18H,2-7,12-13,20H2,1H3;1H.
What are the key properties of (3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride?
(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119785074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).