4-benzhydryl-1-benzylpiperidin-3-one

C25H25NO — CID 23025448

IUPAC4-benzhydryl-1-benzylpiperidin-3-one
SMILESO=C1CN(Cc2ccccc2)CCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO/c27-24-19-26(18-20-10-4-1-5-11-20)17-16-23(24)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,25H,16-19H2
InChIKeyQMEFUQVJVUDYLI-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.91
Rot. Bonds5

About 4-benzhydryl-1-benzylpiperidin-3-one

4-benzhydryl-1-benzylpiperidin-3-one (PubChem CID 23025448) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-benzhydryl-1-benzylpiperidin-3-one.

Molecular Properties

Compound Name4-benzhydryl-1-benzylpiperidin-3-one
PubChem CID23025448
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name4-benzhydryl-1-benzylpiperidin-3-one
SMILESO=C1CN(Cc2ccccc2)CCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO/c27-24-19-26(18-20-10-4-1-5-11-20)17-16-23(24)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,25H,16-19H2
InChIKeyQMEFUQVJVUDYLI-UHFFFAOYSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-1-benzylpiperidin-3-one?
The IUPAC name of 4-benzhydryl-1-benzylpiperidin-3-one (CID 23025448) is 4-benzhydryl-1-benzylpiperidin-3-one.
What is the SMILES notation for 4-benzhydryl-1-benzylpiperidin-3-one?
The canonical SMILES for 4-benzhydryl-1-benzylpiperidin-3-one is O=C1CN(Cc2ccccc2)CCC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-benzhydryl-1-benzylpiperidin-3-one?
The InChIKey is QMEFUQVJVUDYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c27-24-19-26(18-20-10-4-1-5-11-20)17-16-23(24)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,25H,16-19H2.
What are the key properties of 4-benzhydryl-1-benzylpiperidin-3-one?
4-benzhydryl-1-benzylpiperidin-3-one has a molecular weight of 355.48 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-1-benzylpiperidin-3-one is sourced from PubChem (CID 23025448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).