(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one

C11H13NO2 — CID 102384339

IUPAC(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
SMILESO=C1CC[C@H](O)[C@@H](c2ccccc2)N1
InChIInChI=1S/C11H13NO2/c13-9-6-7-10(14)12-11(9)8-4-2-1-3-5-8/h1-5,9,11,13H,6-7H2,(H,12,14)/t9-,11+/m0/s1
InChIKeyKYOFPHBRRWDLQR-GXSJLCMTSA-N
MW191.23 g/mol
LogP1.00
Rot. Bonds1

About (5S,6R)-5-hydroxy-6-phenylpiperidin-2-one

(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one (PubChem CID 102384339) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (5S,6R)-5-hydroxy-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
PubChem CID102384339
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
SMILESO=C1CC[C@H](O)[C@@H](c2ccccc2)N1
InChIInChI=1S/C11H13NO2/c13-9-6-7-10(14)12-11(9)8-4-2-1-3-5-8/h1-5,9,11,13H,6-7H2,(H,12,14)/t9-,11+/m0/s1
InChIKeyKYOFPHBRRWDLQR-GXSJLCMTSA-N
XLogP1.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-hydroxy-6-phenylpiperidin-2-one?
The IUPAC name of (5S,6R)-5-hydroxy-6-phenylpiperidin-2-one (CID 102384339) is (5S,6R)-5-hydroxy-6-phenylpiperidin-2-one.
What is the SMILES notation for (5S,6R)-5-hydroxy-6-phenylpiperidin-2-one?
The canonical SMILES for (5S,6R)-5-hydroxy-6-phenylpiperidin-2-one is O=C1CC[C@H](O)[C@@H](c2ccccc2)N1.
What is the InChIKey of (5S,6R)-5-hydroxy-6-phenylpiperidin-2-one?
The InChIKey is KYOFPHBRRWDLQR-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H13NO2/c13-9-6-7-10(14)12-11(9)8-4-2-1-3-5-8/h1-5,9,11,13H,6-7H2,(H,12,14)/t9-,11+/m0/s1.
What are the key properties of (5S,6R)-5-hydroxy-6-phenylpiperidin-2-one?
(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-hydroxy-6-phenylpiperidin-2-one is sourced from PubChem (CID 102384339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).