1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one

C33H34N2O — CID 11842614

IUPAC1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
SMILESO=C(CCC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H34N2O/c36-32(22-21-31(27-13-5-1-6-14-27)28-15-7-2-8-16-28)34-23-25-35(26-24-34)33(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,31,33H,21-26H2
InChIKeyRCOIEEVFTMWYLS-UHFFFAOYSA-N
MW474.65 g/mol
LogP6.53
Rot. Bonds8

About 1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one

1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one (PubChem CID 11842614) has the molecular formula C33H34N2O and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
PubChem CID11842614
Molecular FormulaC33H34N2O
Molecular Weight474.65 g/mol
Exact Mass474.27
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
SMILESO=C(CCC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H34N2O/c36-32(22-21-31(27-13-5-1-6-14-27)28-15-7-2-8-16-28)34-23-25-35(26-24-34)33(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,31,33H,21-26H2
InChIKeyRCOIEEVFTMWYLS-UHFFFAOYSA-N
XLogP6.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one
CID 1328826
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687
1-(4-benzhydrylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 2944402
1-(4-benzhydrylpiperazin-1-yl)-4-methoxydecan-1-one
CID 132993174
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
1-[4-[(4-hydroxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 69378792
1-(4-benzhydrylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 52894453
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-(4-benzhydrylpiperazin-1-yl)pentane-1,5-dione
CID 66794938
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one (CID 11842614) is 1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one is O=C(CCC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one?
The InChIKey is RCOIEEVFTMWYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O/c36-32(22-21-31(27-13-5-1-6-14-27)28-15-7-2-8-16-28)34-23-25-35(26-24-34)33(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,31,33H,21-26H2.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one?
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one has a molecular weight of 474.65 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one is sourced from PubChem (CID 11842614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).