(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone

C15H22N2O — CID 62123341

IUPAC(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2C)ccc1N
InChIInChI=1S/C15H22N2O/c1-10-5-4-8-17(12(10)3)15(18)13-6-7-14(16)11(2)9-13/h6-7,9-10,12H,4-5,8,16H2,1-3H3
InChIKeyKVNUQYIGXORLKW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.84
Rot. Bonds1

About (4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone

(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone (PubChem CID 62123341) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
PubChem CID62123341
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2C)ccc1N
InChIInChI=1S/C15H22N2O/c1-10-5-4-8-17(12(10)3)15(18)13-6-7-14(16)11(2)9-13/h6-7,9-10,12H,4-5,8,16H2,1-3H3
InChIKeyKVNUQYIGXORLKW-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.84
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

5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide
CID 65386146
(4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 60945512
(2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123342
(2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62124769
(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438
(6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 66465121
4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62122751
(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122988
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile
CID 62125197
(2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179694
(5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122883

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone (CID 62123341) is (4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCCC(C)C2C)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is KVNUQYIGXORLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-5-4-8-17(12(10)3)15(18)13-6-7-14(16)11(2)9-13/h6-7,9-10,12H,4-5,8,16H2,1-3H3.
What are the key properties of (4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62123341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).