(2R)-2-phenylpiperidin-4-one

C11H13NO — CID 86319056

IUPAC(2R)-2-phenylpiperidin-4-one
SMILESO=C1CCN[C@@H](c2ccccc2)C1
InChIInChI=1S/C11H13NO/c13-10-6-7-12-11(8-10)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2/t11-/m1/s1
InChIKeyGWIBEASNZNAKCX-LLVKDONJSA-N
MW175.23 g/mol
LogP1.68
Rot. Bonds1

About (2R)-2-phenylpiperidin-4-one

(2R)-2-phenylpiperidin-4-one (PubChem CID 86319056) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R)-2-phenylpiperidin-4-one.

Molecular Properties

Compound Name(2R)-2-phenylpiperidin-4-one
PubChem CID86319056
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(2R)-2-phenylpiperidin-4-one
SMILESO=C1CCN[C@@H](c2ccccc2)C1
InChIInChI=1S/C11H13NO/c13-10-6-7-12-11(8-10)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2/t11-/m1/s1
InChIKeyGWIBEASNZNAKCX-LLVKDONJSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyphenyl)piperidin-4-one
CID 75982706
4-phenyl-1,5-diazocan-2-one
CID 13048236
2-(6-fluoro-3-pyridinyl)piperidin-4-one
CID 82401375
2-[2-(trifluoromethyl)phenyl]piperidin-4-one
CID 75982795
4-phenyl-1,5-diazecan-2-one
CID 101358017
2-phenyl-4-(2,2,2-trifluoroethylidene)piperidine
CID 170718536
2-(6-methyl-2-pyridinyl)piperidin-4-one
CID 82403926
(7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene
CID 101114161
(2S)-2-phenylpiperidine
CID 10997356
1-ethyl-4-phenyl-1,5-diazocan-2-one
CID 13048239
4-phenylazetidin-2-one;pyrrolidin-2-one
CID 67067150
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenylpiperidin-4-one?
The IUPAC name of (2R)-2-phenylpiperidin-4-one (CID 86319056) is (2R)-2-phenylpiperidin-4-one.
What is the SMILES notation for (2R)-2-phenylpiperidin-4-one?
The canonical SMILES for (2R)-2-phenylpiperidin-4-one is O=C1CCN[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R)-2-phenylpiperidin-4-one?
The InChIKey is GWIBEASNZNAKCX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13NO/c13-10-6-7-12-11(8-10)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2/t11-/m1/s1.
What are the key properties of (2R)-2-phenylpiperidin-4-one?
(2R)-2-phenylpiperidin-4-one has a molecular weight of 175.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenylpiperidin-4-one is sourced from PubChem (CID 86319056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).