1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one

C32H32N2O — CID 4988454

IUPAC1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2
InChIKeyVCPMZDWBEWTGNW-UHFFFAOYSA-N
MW460.62 g/mol
LogP6.14
Rot. Bonds7

About 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one

1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one (PubChem CID 4988454) has the molecular formula C32H32N2O and a molecular weight of 460.62 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one
PubChem CID4988454
Molecular FormulaC32H32N2O
Molecular Weight460.62 g/mol
Exact Mass460.25
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2
InChIKeyVCPMZDWBEWTGNW-UHFFFAOYSA-N
XLogP6.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide hydrochloride
CID 14553502
Dpi-221
CID 9891642
N-benzyl-4-phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 24776412
1-Benzhydryl-4-(3,3-diphenylpropyl)piperazine
CID 44756847
N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-phenylpropan-2-yl]adamantane-1-carboxamide;dihydrochloride
CID 10460034
1-(4-Benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 718736
Piperazine, 1-(2-adamantyl)-4-benzoyl-
CID 571059
Piperazine, 1-(2-fluorobenzoyl)-4-diphenylacetyl-
CID 579768
1-Benzhydryl-4-(cyclopropylcarbonyl)piperazine
CID 902950
6,6-diphenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one
CID 9890105

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one (CID 4988454) is 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
The InChIKey is VCPMZDWBEWTGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one has a molecular weight of 460.62 g/mol, XLogP of 6.14, 7 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)-3,3-diphenylpropan-1-one is sourced from PubChem (CID 4988454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).