2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one

C14H19NO2 — CID 69378819

IUPAC2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one
SMILESCC[C@](O)(c1ccccc1)C1CC(=O)CCN1
InChIInChI=1S/C14H19NO2/c1-2-14(17,11-6-4-3-5-7-11)13-10-12(16)8-9-15-13/h3-7,13,15,17H,2,8-10H2,1H3/t13?,14-/m0/s1
InChIKeyPJYXXKRLGBUERI-KZUDCZAMSA-N
MW233.31 g/mol
LogP1.61
Rot. Bonds3

About 2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one

2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one (PubChem CID 69378819) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one
PubChem CID69378819
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one
SMILESCC[C@](O)(c1ccccc1)C1CC(=O)CCN1
InChIInChI=1S/C14H19NO2/c1-2-14(17,11-6-4-3-5-7-11)13-10-12(16)8-9-15-13/h3-7,13,15,17H,2,8-10H2,1H3/t13?,14-/m0/s1
InChIKeyPJYXXKRLGBUERI-KZUDCZAMSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 155010547
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 138485227
(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
CID 124705714
(2S)-2-[(1S)-1-hydroxy-1-phenylpropyl]cyclohexan-1-one
CID 102452040
(2R)-2-tert-butylpiperidin-4-one
CID 86332731
(2R)-2-phenylpiperidin-4-one
CID 86319056
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
azepan-2-one;1-phenylpropane-1,1-diol
CID 174768903
2-(2-hydroxyphenyl)piperidin-4-one
CID 75982706
diethyl 2-[(1R)-3-oxocyclohexyl]-2-phenylpropanedioate
CID 135021532
ethane;3-methylpentan-3-ylbenzene
CID 90745317
3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid
CID 23121971

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one?
The IUPAC name of 2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one (CID 69378819) is 2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one.
What is the SMILES notation for 2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one?
The canonical SMILES for 2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one is CC[C@](O)(c1ccccc1)C1CC(=O)CCN1.
What is the InChIKey of 2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one?
The InChIKey is PJYXXKRLGBUERI-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-14(17,11-6-4-3-5-7-11)13-10-12(16)8-9-15-13/h3-7,13,15,17H,2,8-10H2,1H3/t13?,14-/m0/s1.
What are the key properties of 2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one?
2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one has a molecular weight of 233.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one is sourced from PubChem (CID 69378819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).