(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one

C16H24N2O — CID 61165041

IUPAC(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-12(2)15(17)16(19)18-10-8-14(9-11-18)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3/t15-/m0/s1
InChIKeyZBNOJMJZCHBASI-HNNXBMFYSA-N
MW260.38 g/mol
LogP2.38
Rot. Bonds3

About (2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one

(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one (PubChem CID 61165041) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
PubChem CID61165041
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-12(2)15(17)16(19)18-10-8-14(9-11-18)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3/t15-/m0/s1
InChIKeyZBNOJMJZCHBASI-HNNXBMFYSA-N
XLogP2.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481433
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
(2S)-2-amino-4-methyl-1-(4-phenylazepan-1-yl)pentan-1-one;hydrochloride
CID 119770865
2-bromo-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 107905122
(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414
2-amino-1-(4-phenylazepan-1-yl)pentan-1-one
CID 119316138
2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 112687859
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119290269

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one (CID 61165041) is (2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one is CC(C)[C@H](N)C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one?
The InChIKey is ZBNOJMJZCHBASI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)15(17)16(19)18-10-8-14(9-11-18)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one?
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 61165041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).