(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one

C15H22N2O — CID 59968912

IUPAC(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C[C@@H](N)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-12-5-7-13(8-6-12)11-14(16)15(18)17-9-3-2-4-10-17/h5-8,14H,2-4,9-11,16H2,1H3/t14-/m1/s1
InChIKeyQRYMRZXPGGYIQQ-CQSZACIVSA-N
MW246.35 g/mol
LogP1.88
Rot. Bonds3

About (2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one

(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 59968912) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
PubChem CID59968912
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C[C@@H](N)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-12-5-7-13(8-6-12)11-14(16)15(18)17-9-3-2-4-10-17/h5-8,14H,2-4,9-11,16H2,1H3/t14-/m1/s1
InChIKeyQRYMRZXPGGYIQQ-CQSZACIVSA-N
XLogP1.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-(azetidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 150668199
2-amino-3-(4-ethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851361
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
(2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 58648589
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
(2S)-2-amino-1-(azocan-1-yl)-3-(3,4-dihydroxyphenyl)propan-1-one
CID 61148033
acetonitrile;(2S)-2-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904143
4-(2-amino-3-oxo-3-pyrrolidin-1-ylpropyl)benzonitrile;hydrochloride
CID 19703184
(2R)-2-amino-3-(4-pyrimidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one;methane
CID 142913175
2-amino-3-[4-[[methyl(propyl)amino]methyl]phenyl]-1-pyrrolidin-1-ylpropan-1-one
CID 21070228
2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 23002640

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one (CID 59968912) is (2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one is Cc1ccc(C[C@@H](N)C(=O)N2CCCCC2)cc1.
What is the InChIKey of (2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is QRYMRZXPGGYIQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-5-7-13(8-6-12)11-14(16)15(18)17-9-3-2-4-10-17/h5-8,14H,2-4,9-11,16H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one?
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 246.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 59968912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).