(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride

C19H29ClN2O — CID 119378259

IUPAC(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
SMILESCc1ccccc1C1(C(=O)N2CCCC(N)C2)CCCCC1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-15-8-3-4-10-17(15)19(11-5-2-6-12-19)18(22)21-13-7-9-16(20)14-21;/h3-4,8,10,16H,2,5-7,9,11-14,20H2,1H3;1H
InChIKeyIFIJPFIHXDUNHK-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.57
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride (PubChem CID 119378259) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
PubChem CID119378259
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
SMILESCc1ccccc1C1(C(=O)N2CCCC(N)C2)CCCCC1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-15-8-3-4-10-17(15)19(11-5-2-6-12-19)18(22)21-13-7-9-16(20)14-21;/h3-4,8,10,16H,2,5-7,9,11-14,20H2,1H3;1H
InChIKeyIFIJPFIHXDUNHK-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]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

[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 119488173
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119635994
N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide
CID 119480049
[4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119517732
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
[(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone
CID 124593906
(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride
CID 119380404
(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 103840779
[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620383
5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
CID 122117216
(3aR,7aS)-1-methyl-5-[1-(2-methylphenyl)cyclobutanecarbonyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120963729
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride (CID 119378259) is (3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride is Cc1ccccc1C1(C(=O)N2CCCC(N)C2)CCCCC1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride?
The InChIKey is IFIJPFIHXDUNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-15-8-3-4-10-17(15)19(11-5-2-6-12-19)18(22)21-13-7-9-16(20)14-21;/h3-4,8,10,16H,2,5-7,9,11-14,20H2,1H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride is sourced from PubChem (CID 119378259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).