1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one

C33H34N2O — CID 10412639

IUPAC1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESCc1ccc(C(c2ccccc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C33H34N2O/c1-26-17-19-30(20-18-26)33(29-15-9-4-10-16-29)35-23-21-34(22-24-35)32(36)25-31(27-11-5-2-6-12-27)28-13-7-3-8-14-28/h2-20,31,33H,21-25H2,1H3
InChIKeyPVJNWPXQHNFPOR-UHFFFAOYSA-N
MW474.65 g/mol
LogP6.45
Rot. Bonds7

About 1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one

1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 10412639) has the molecular formula C33H34N2O and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID10412639
Molecular FormulaC33H34N2O
Molecular Weight474.65 g/mol
Exact Mass474.27
IUPAC Name1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESCc1ccc(C(c2ccccc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C33H34N2O/c1-26-17-19-30(20-18-26)33(29-15-9-4-10-16-29)35-23-21-34(22-24-35)32(36)25-31(27-11-5-2-6-12-27)28-13-7-3-8-14-28/h2-20,31,33H,21-25H2,1H3
InChIKeyPVJNWPXQHNFPOR-UHFFFAOYSA-N
XLogP6.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one (CID 10412639) is 1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one is Cc1ccc(C(c2ccccc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is PVJNWPXQHNFPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O/c1-26-17-19-30(20-18-26)33(29-15-9-4-10-16-29)35-23-21-34(22-24-35)32(36)25-31(27-11-5-2-6-12-27)28-13-7-3-8-14-28/h2-20,31,33H,21-25H2,1H3.
What are the key properties of 1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 474.65 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 10412639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).