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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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).