3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride

C25H26ClNO — CID 56668292

IUPAC3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride
SMILESCl.O=C1CCN(Cc2ccccc2)CC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO.ClH/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;1H
InChIKeyFAUBVMWWUMTEQP-UHFFFAOYSA-N
MW391.94 g/mol
LogP5.33
Rot. Bonds5

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

3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride (PubChem CID 56668292) has the molecular formula C25H26ClNO and a molecular weight of 391.94 g/mol. Its IUPAC name is 3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride
PubChem CID56668292
Molecular FormulaC25H26ClNO
Molecular Weight391.94 g/mol
Exact Mass391.17
IUPAC Name3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride
SMILESCl.O=C1CCN(Cc2ccccc2)CC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO.ClH/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;1H
InChIKeyFAUBVMWWUMTEQP-UHFFFAOYSA-N
XLogP5.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.94
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-benzhydryl-1-benzylpiperidin-4-one
CID 86328824
(3R)-1-benzyl-3-bromopiperidin-4-one
CID 92975934
1-benzyl-3-methylpiperidin-4-one
CID 560965
1-[(5-amino-2-methoxyphenyl)methyl]-3-benzhydrylpiperidin-4-one;dihydrochloride
CID 23025460
1-benzyl-4-oxopiperidine-3-carbaldehyde
CID 88586790
1-[(5-amino-2-methoxyphenyl)methyl]-3-benzhydrylpiperidin-4-one
CID 23025461
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 3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride?
The IUPAC name of 3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride (CID 56668292) is 3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride.
What is the SMILES notation for 3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride?
The canonical SMILES for 3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride is Cl.O=C1CCN(Cc2ccccc2)CC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride?
The InChIKey is FAUBVMWWUMTEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO.ClH/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;1H.
What are the key properties of 3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride?
3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 56668292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).