(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C15H23ClN2O — CID 119560822

IUPAC(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cccc(C)c2C)CC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-5-4-6-14(12(11)2)15(18)17-9-7-13(16-3)8-10-17;/h4-6,13,16H,7-10H2,1-3H3;1H
InChIKeySAEFWVCVQSQRGN-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.55
Rot. Bonds2

About (2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119560822) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119560822
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2cccc(C)c2C)CC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-5-4-6-14(12(11)2)15(18)17-9-7-13(16-3)8-10-17;/h4-6,13,16H,7-10H2,1-3H3;1H
InChIKeySAEFWVCVQSQRGN-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(3-methyl-2-nitrophenyl)methanone;hydrochloride
CID 119560462
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281924
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119561443
[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119562051
[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490689
(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563968
[3-(methylamino)pyrrolidin-1-yl]-(3-methyl-2-nitrophenyl)methanone;hydrochloride
CID 119413694
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
CID 108566970
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119560822) is (2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2cccc(C)c2C)CC1.Cl.
What is the InChIKey of (2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is SAEFWVCVQSQRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-11-5-4-6-14(12(11)2)15(18)17-9-7-13(16-3)8-10-17;/h4-6,13,16H,7-10H2,1-3H3;1H.
What are the key properties of (2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119560822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).