1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine

C33H34N2O — CID 70315399

IUPAC1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine
SMILESC=C(COC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H34N2O/c1-27(26-36-33(30-18-10-4-11-19-30)31-20-12-5-13-21-31)34-22-24-35(25-23-34)32(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h2-21,32-33H,1,22-26H2
InChIKeyTWUOWPYHSIJYJI-UHFFFAOYSA-N
MW474.65 g/mol
LogP6.71
Rot. Bonds9

About 1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine

1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine (PubChem CID 70315399) has the molecular formula C33H34N2O and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine
PubChem CID70315399
Molecular FormulaC33H34N2O
Molecular Weight474.65 g/mol
Exact Mass474.27
IUPAC Name1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine
SMILESC=C(COC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H34N2O/c1-27(26-36-33(30-18-10-4-11-19-30)31-20-12-5-13-21-31)34-22-24-35(25-23-34)32(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h2-21,32-33H,1,22-26H2
InChIKeyTWUOWPYHSIJYJI-UHFFFAOYSA-N
XLogP6.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 1390511
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
1-benzhydryl-4-[[(2R)-oxiran-2-yl]methyl]piperazine
CID 34180767
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
CID 2893693
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-[bis(4-chlorophenyl)methoxy]propan-2-ol
CID 98291992
1-(4-benzhydrylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 52894453
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine?
The IUPAC name of 1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine (CID 70315399) is 1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine.
What is the SMILES notation for 1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine?
The canonical SMILES for 1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine is C=C(COC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine?
The InChIKey is TWUOWPYHSIJYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O/c1-27(26-36-33(30-18-10-4-11-19-30)31-20-12-5-13-21-31)34-22-24-35(25-23-34)32(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h2-21,32-33H,1,22-26H2.
What are the key properties of 1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine?
1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine has a molecular weight of 474.65 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(3-benzhydryloxyprop-1-en-2-yl)piperazine is sourced from PubChem (CID 70315399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).