(5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one

C18H19NO2 — CID 102303304

IUPAC(5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one
SMILESO=C1CC[C@H](O)[C@H](C(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C18H19NO2/c20-15-11-12-16(21)19-18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17-18,20H,11-12H2,(H,19,21)/t15-,18+/m0/s1
InChIKeyWKFUGLIPSVHBJW-MAUKXSAKSA-N
MW281.36 g/mol
LogP2.46
Rot. Bonds3

About (5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one

(5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one (PubChem CID 102303304) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one
PubChem CID102303304
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one
SMILESO=C1CC[C@H](O)[C@H](C(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C18H19NO2/c20-15-11-12-16(21)19-18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17-18,20H,11-12H2,(H,19,21)/t15-,18+/m0/s1
InChIKeyWKFUGLIPSVHBJW-MAUKXSAKSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one?
The IUPAC name of (5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one (CID 102303304) is (5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one.
What is the SMILES notation for (5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one?
The canonical SMILES for (5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one is O=C1CC[C@H](O)[C@H](C(c2ccccc2)c2ccccc2)N1.
What is the InChIKey of (5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one?
The InChIKey is WKFUGLIPSVHBJW-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H19NO2/c20-15-11-12-16(21)19-18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17-18,20H,11-12H2,(H,19,21)/t15-,18+/m0/s1.
What are the key properties of (5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one?
(5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one is sourced from PubChem (CID 102303304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).