1,2-diphenylpiperidin-4-one

C17H17NO — CID 56846102

IUPAC1,2-diphenylpiperidin-4-one
SMILESO=C1CCN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C17H17NO/c19-16-11-12-18(15-9-5-2-6-10-15)17(13-16)14-7-3-1-4-8-14/h1-10,17H,11-13H2
InChIKeyPZVNDGYYRBJJJB-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.60
Rot. Bonds2

About 1,2-diphenylpiperidin-4-one

1,2-diphenylpiperidin-4-one (PubChem CID 56846102) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,2-diphenylpiperidin-4-one.

Molecular Properties

Compound Name1,2-diphenylpiperidin-4-one
PubChem CID56846102
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1,2-diphenylpiperidin-4-one
SMILESO=C1CCN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C17H17NO/c19-16-11-12-18(15-9-5-2-6-10-15)17(13-16)14-7-3-1-4-8-14/h1-10,17H,11-13H2
InChIKeyPZVNDGYYRBJJJB-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-Methylfentanyl, cis-
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p-Tolylfentanyl
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N-(1-Benzyl-4-piperidyl)-N-phenylpropanamide
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4,4'-Bis(diethylamino)benzophenone
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CID 10314851
4-Dimethylaminochalcone
CID 5377268

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylpiperidin-4-one?
The IUPAC name of 1,2-diphenylpiperidin-4-one (CID 56846102) is 1,2-diphenylpiperidin-4-one.
What is the SMILES notation for 1,2-diphenylpiperidin-4-one?
The canonical SMILES for 1,2-diphenylpiperidin-4-one is O=C1CCN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 1,2-diphenylpiperidin-4-one?
The InChIKey is PZVNDGYYRBJJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-16-11-12-18(15-9-5-2-6-10-15)17(13-16)14-7-3-1-4-8-14/h1-10,17H,11-13H2.
What are the key properties of 1,2-diphenylpiperidin-4-one?
1,2-diphenylpiperidin-4-one has a molecular weight of 251.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylpiperidin-4-one is sourced from PubChem (CID 56846102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).