(5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one

C12H15NO2 — CID 168925086

IUPAC(5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one
SMILESO=C1CC[C@H](CO)[C@@H](c2ccccc2)N1
InChIInChI=1S/C12H15NO2/c14-8-10-6-7-11(15)13-12(10)9-4-2-1-3-5-9/h1-5,10,12,14H,6-8H2,(H,13,15)/t10-,12-/m1/s1
InChIKeyTUBMBTKNXHVNSC-ZYHUDNBSSA-N
MW205.26 g/mol
LogP1.25
Rot. Bonds2

About (5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one

(5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one (PubChem CID 168925086) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one
PubChem CID168925086
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one
SMILESO=C1CC[C@H](CO)[C@@H](c2ccccc2)N1
InChIInChI=1S/C12H15NO2/c14-8-10-6-7-11(15)13-12(10)9-4-2-1-3-5-9/h1-5,10,12,14H,6-8H2,(H,13,15)/t10-,12-/m1/s1
InChIKeyTUBMBTKNXHVNSC-ZYHUDNBSSA-N
XLogP1.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
CID 102384339
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
CID 95435375
4-amino-5-phenylpyrrolidin-2-one
CID 75606920
(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one
CID 158341952
4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one
CID 66102599
(5S,6R)-5,6-diphenylpiperazin-2-one
CID 53393309
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987
5-amino-4,6-diphenylpiperidin-2-one
CID 19012812
(3R,4S)-4-(hydroxymethyl)-3-phenylpyrrolidin-2-one
CID 138523438
(2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one
CID 10493954
(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one?
The IUPAC name of (5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one (CID 168925086) is (5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one.
What is the SMILES notation for (5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one?
The canonical SMILES for (5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one is O=C1CC[C@H](CO)[C@@H](c2ccccc2)N1.
What is the InChIKey of (5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one?
The InChIKey is TUBMBTKNXHVNSC-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H15NO2/c14-8-10-6-7-11(15)13-12(10)9-4-2-1-3-5-9/h1-5,10,12,14H,6-8H2,(H,13,15)/t10-,12-/m1/s1.
What are the key properties of (5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one?
(5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one is sourced from PubChem (CID 168925086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).