(2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one

C16H24N2O2 — CID 142480196

IUPAC(2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1ccc(CC2CCN(C(=O)[C@H](N)CO)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-2-4-13(5-3-12)10-14-6-8-18(9-7-14)16(20)15(17)11-19/h2-5,14-15,19H,6-11,17H2,1H3/t15-/m1/s1
InChIKeyLKXGKBADPUONEJ-OAHLLOKOSA-N
MW276.38 g/mol
LogP1.10
Rot. Bonds4

About (2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one

(2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 142480196) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one
PubChem CID142480196
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1ccc(CC2CCN(C(=O)[C@H](N)CO)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-2-4-13(5-3-12)10-14-6-8-18(9-7-14)16(20)15(17)11-19/h2-5,14-15,19H,6-11,17H2,1H3/t15-/m1/s1
InChIKeyLKXGKBADPUONEJ-OAHLLOKOSA-N
XLogP1.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479897
(2S)-2-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxypropan-1-one
CID 70755897
2-amino-3-hydroxy-1-[4-[[4-(2-phenylethynyl)phenyl]methyl]piperidin-1-yl]propan-1-one
CID 135386796
2-amino-2-(4-hydroxy-1-methylsulfinylpiperidin-4-yl)-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 142479923
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one
CID 103830858
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 119313281
(2S)-2-amino-1-(azetidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 150668199
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119671897
(2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one
CID 92757331

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one (CID 142480196) is (2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one is Cc1ccc(CC2CCN(C(=O)[C@H](N)CO)CC2)cc1.
What is the InChIKey of (2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is LKXGKBADPUONEJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-2-4-13(5-3-12)10-14-6-8-18(9-7-14)16(20)15(17)11-19/h2-5,14-15,19H,6-11,17H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one?
(2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 142480196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).