(3R)-3-benzhydryl-1-benzylpiperidin-4-one

C25H25NO — CID 86328824

IUPAC(3R)-3-benzhydryl-1-benzylpiperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)C[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO/c27-24-16-17-26(18-20-10-4-1-5-11-20)19-23(24)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,25H,16-19H2/t23-/m1/s1
InChIKeyJOSUEJRRQNCMDZ-HSZRJFAPSA-N
MW355.48 g/mol
LogP4.91
Rot. Bonds5

About (3R)-3-benzhydryl-1-benzylpiperidin-4-one

(3R)-3-benzhydryl-1-benzylpiperidin-4-one (PubChem CID 86328824) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is (3R)-3-benzhydryl-1-benzylpiperidin-4-one.

Molecular Properties

Compound Name(3R)-3-benzhydryl-1-benzylpiperidin-4-one
PubChem CID86328824
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name(3R)-3-benzhydryl-1-benzylpiperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)C[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO/c27-24-16-17-26(18-20-10-4-1-5-11-20)19-23(24)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,25H,16-19H2/t23-/m1/s1
InChIKeyJOSUEJRRQNCMDZ-HSZRJFAPSA-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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Related Compounds

3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride
CID 56668292
(3R)-1-benzyl-3-bromopiperidin-4-one
CID 92975934
1-benzyl-3-methylpiperidin-4-one
CID 560965
1-benzyl-4-oxopiperidine-3-carbaldehyde
CID 88586790
1-[(5-amino-2-methoxyphenyl)methyl]-3-benzhydrylpiperidin-4-one
CID 23025461
1-[(5-amino-2-methoxyphenyl)methyl]-3-benzhydrylpiperidin-4-one;dihydrochloride
CID 23025460
1-benzyl-3-phenylmethoxypiperidin-4-one
CID 15096753
1-benzyl-3-(4-chlorophenyl)piperidin-4-one
CID 18001162
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
ethane;methyl 1-benzyl-4-oxopiperidine-3-carboxylate
CID 142959894
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-one
CID 114508804

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzhydryl-1-benzylpiperidin-4-one?
The IUPAC name of (3R)-3-benzhydryl-1-benzylpiperidin-4-one (CID 86328824) is (3R)-3-benzhydryl-1-benzylpiperidin-4-one.
What is the SMILES notation for (3R)-3-benzhydryl-1-benzylpiperidin-4-one?
The canonical SMILES for (3R)-3-benzhydryl-1-benzylpiperidin-4-one is O=C1CCN(Cc2ccccc2)C[C@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-benzhydryl-1-benzylpiperidin-4-one?
The InChIKey is JOSUEJRRQNCMDZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25NO/c27-24-16-17-26(18-20-10-4-1-5-11-20)19-23(24)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,25H,16-19H2/t23-/m1/s1.
What are the key properties of (3R)-3-benzhydryl-1-benzylpiperidin-4-one?
(3R)-3-benzhydryl-1-benzylpiperidin-4-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 (3R)-3-benzhydryl-1-benzylpiperidin-4-one is sourced from PubChem (CID 86328824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).