1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone

C17H26N2O — CID 19164018

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone
SMILESCc1ccc(CNCC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C17H26N2O/c1-13-7-9-16(10-8-13)11-18-12-17(20)19-14(2)5-4-6-15(19)3/h7-10,14-15,18H,4-6,11-12H2,1-3H3
InChIKeyCPKACAFXSYTXPV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.87
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone (PubChem CID 19164018) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone
PubChem CID19164018
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone
SMILESCc1ccc(CNCC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C17H26N2O/c1-13-7-9-16(10-8-13)11-18-12-17(20)19-14(2)5-4-6-15(19)3/h7-10,14-15,18H,4-6,11-12H2,1-3H3
InChIKeyCPKACAFXSYTXPV-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone
CID 1459332
N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1072533
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3226633
2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 16784397
N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 110757185
3-[(4-methylphenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014305
1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone
CID 82101223
N-benzyl-2,6-dimethylpiperidine-1-carboxamide
CID 110755036
N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518109
2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95152526
2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 112770347

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone (CID 19164018) is 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone is Cc1ccc(CNCC(=O)N2C(C)CCCC2C)cc1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone?
The InChIKey is CPKACAFXSYTXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-7-9-16(10-8-13)11-18-12-17(20)19-14(2)5-4-6-15(19)3/h7-10,14-15,18H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone has a molecular weight of 274.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone is sourced from PubChem (CID 19164018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).