2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone

C15H22N2O — CID 124595909

IUPAC2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone
SMILESCc1ccc([C@H]2[C@H](C)CCCN2C(=O)CN)cc1
InChIInChI=1S/C15H22N2O/c1-11-5-7-13(8-6-11)15-12(2)4-3-9-17(15)14(18)10-16/h5-8,12,15H,3-4,9-10,16H2,1-2H3/t12-,15-/m1/s1
InChIKeyBIRGLZHIHITJAN-IUODEOHRSA-N
MW246.35 g/mol
LogP2.25
Rot. Bonds2

About 2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone

2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone (PubChem CID 124595909) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone
PubChem CID124595909
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone
SMILESCc1ccc([C@H]2[C@H](C)CCCN2C(=O)CN)cc1
InChIInChI=1S/C15H22N2O/c1-11-5-7-13(8-6-11)15-12(2)4-3-9-17(15)14(18)10-16/h5-8,12,15H,3-4,9-10,16H2,1-2H3/t12-,15-/m1/s1
InChIKeyBIRGLZHIHITJAN-IUODEOHRSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide
CID 71874842
4-methyl-2-[2-[(2R,3S)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazol-3-one
CID 124615920
3-(dimethylamino)-1-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 154794005
[3-methyl-2-(4-methylphenyl)piperidin-1-yl]-piperidin-4-ylmethanone
CID 119330882
(3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119796649
(2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide
CID 97005705
2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288410
3-methyl-1-[(4-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107071273
2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone
CID 119288426
tert-butyl 3-(aminomethyl)-2-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 84814865
3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119704820
1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 106312835

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone (CID 124595909) is 2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone is Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CN)cc1.
What is the InChIKey of 2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone?
The InChIKey is BIRGLZHIHITJAN-IUODEOHRSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-7-13(8-6-11)15-12(2)4-3-9-17(15)14(18)10-16/h5-8,12,15H,3-4,9-10,16H2,1-2H3/t12-,15-/m1/s1.
What are the key properties of 2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone?
2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2R,3R)-3-methyl-2-(4-methylphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124595909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).