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

C19H29ClN2O — CID 119376299

IUPAC(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride
SMILESCc1cccc(C2(C(=O)N3CCC(N)CC3)CCCCC2)c1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-15-6-5-7-16(14-15)19(10-3-2-4-11-19)18(22)21-12-8-17(20)9-13-21;/h5-7,14,17H,2-4,8-13,20H2,1H3;1H
InChIKeyZBBXUQVZEUWXBN-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.57
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride (PubChem CID 119376299) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride
PubChem CID119376299
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride
SMILESCc1cccc(C2(C(=O)N3CCC(N)CC3)CCCCC2)c1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-15-6-5-7-16(14-15)19(10-3-2-4-11-19)18(22)21-12-8-17(20)9-13-21;/h5-7,14,17H,2-4,8-13,20H2,1H3;1H
InChIKeyZBBXUQVZEUWXBN-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

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Related Compounds

(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)cyclobutyl]methanone
CID 79410950
[4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
CID 128879223
(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 43416776
(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 63107346
1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide
CID 154736148
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone;hydrochloride
CID 119517548
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168328
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone
CID 120818548
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride (CID 119376299) is (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride is Cc1cccc(C2(C(=O)N3CCC(N)CC3)CCCCC2)c1.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride?
The InChIKey is ZBBXUQVZEUWXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-15-6-5-7-16(14-15)19(10-3-2-4-11-19)18(22)21-12-8-17(20)9-13-21;/h5-7,14,17H,2-4,8-13,20H2,1H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[1-(3-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 (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride is sourced from PubChem (CID 119376299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).