3-(2-hydroxy-2-phenylethyl)piperidin-2-one

C13H17NO2 — CID 104679238

IUPAC3-(2-hydroxy-2-phenylethyl)piperidin-2-one
SMILESO=C1NCCCC1CC(O)c1ccccc1
InChIInChI=1S/C13H17NO2/c15-12(10-5-2-1-3-6-10)9-11-7-4-8-14-13(11)16/h1-3,5-6,11-12,15H,4,7-9H2,(H,14,16)
InChIKeyOBLFVZAWRPLLRE-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.64
Rot. Bonds3

About 3-(2-hydroxy-2-phenylethyl)piperidin-2-one

3-(2-hydroxy-2-phenylethyl)piperidin-2-one (PubChem CID 104679238) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(2-hydroxy-2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-2-phenylethyl)piperidin-2-one
PubChem CID104679238
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(2-hydroxy-2-phenylethyl)piperidin-2-one
SMILESO=C1NCCCC1CC(O)c1ccccc1
InChIInChI=1S/C13H17NO2/c15-12(10-5-2-1-3-6-10)9-11-7-4-8-14-13(11)16/h1-3,5-6,11-12,15H,4,7-9H2,(H,14,16)
InChIKeyOBLFVZAWRPLLRE-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
3-(2-phenylethyl)piperidin-2-one
CID 10798202
(3S)-3-(2-amino-2-hydroxyethyl)azepan-2-one
CID 68951784
2-cyclopentyl-1-phenylethanol
CID 15629098
3-(2-hydroxy-3-methylbutyl)azepan-2-one
CID 130495542
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
3-(phenylmethoxymethyl)piperidin-2-one
CID 102941255
3-[hydroxy(phenyl)methyl]pyrrolidin-2-one
CID 142674016
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
3-(2,2-difluoroethyl)azepan-2-one
CID 104679699
(3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one
CID 118420758

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-phenylethyl)piperidin-2-one?
The IUPAC name of 3-(2-hydroxy-2-phenylethyl)piperidin-2-one (CID 104679238) is 3-(2-hydroxy-2-phenylethyl)piperidin-2-one.
What is the SMILES notation for 3-(2-hydroxy-2-phenylethyl)piperidin-2-one?
The canonical SMILES for 3-(2-hydroxy-2-phenylethyl)piperidin-2-one is O=C1NCCCC1CC(O)c1ccccc1.
What is the InChIKey of 3-(2-hydroxy-2-phenylethyl)piperidin-2-one?
The InChIKey is OBLFVZAWRPLLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12(10-5-2-1-3-6-10)9-11-7-4-8-14-13(11)16/h1-3,5-6,11-12,15H,4,7-9H2,(H,14,16).
What are the key properties of 3-(2-hydroxy-2-phenylethyl)piperidin-2-one?
3-(2-hydroxy-2-phenylethyl)piperidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 104679238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).