(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride

C13H18Cl2N2O — CID 119671331

IUPAC(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCCN(C(=O)c2ccc(N)cc2Cl)C1.Cl
InChIInChI=1S/C13H17ClN2O.ClH/c1-9-3-2-6-16(8-9)13(17)11-5-4-10(15)7-12(11)14;/h4-5,7,9H,2-3,6,8,15H2,1H3;1H
InChIKeyCMGRBJXHVIMFIW-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.22
Rot. Bonds1

About (4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride

(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 119671331) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID119671331
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCCN(C(=O)c2ccc(N)cc2Cl)C1.Cl
InChIInChI=1S/C13H17ClN2O.ClH/c1-9-3-2-6-16(8-9)13(17)11-5-4-10(15)7-12(11)14;/h4-5,7,9H,2-3,6,8,15H2,1H3;1H
InChIKeyCMGRBJXHVIMFIW-UHFFFAOYSA-N
XLogP3.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-2-chlorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119771955
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide
CID 61107146
(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916789
(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119821044
(2-chloro-4-nitrophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3605259
(4-amino-2-chlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168035
(4-amino-2-chlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113267297
[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109975
(4-amino-2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 16775580

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride (CID 119671331) is (4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride is CC1CCCN(C(=O)c2ccc(N)cc2Cl)C1.Cl.
What is the InChIKey of (4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is CMGRBJXHVIMFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.ClH/c1-9-3-2-6-16(8-9)13(17)11-5-4-10(15)7-12(11)14;/h4-5,7,9H,2-3,6,8,15H2,1H3;1H.
What are the key properties of (4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride?
(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 289.21 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119671331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).