1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one

C34H36N2O3 — CID 10369420

IUPAC1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESCOc1ccc(C(c2ccc(OC)cc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C34H36N2O3/c1-38-30-17-13-28(14-18-30)34(29-15-19-31(39-2)20-16-29)36-23-21-35(22-24-36)33(37)25-32(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-20,32,34H,21-25H2,1-2H3
InChIKeyCBDZLOJIUYHCHO-UHFFFAOYSA-N
MW520.67 g/mol
LogP6.16
Rot. Bonds9

About 1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one

1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 10369420) has the molecular formula C34H36N2O3 and a molecular weight of 520.67 g/mol. Its IUPAC name is 1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID10369420
Molecular FormulaC34H36N2O3
Molecular Weight520.67 g/mol
Exact Mass520.27
IUPAC Name1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESCOc1ccc(C(c2ccc(OC)cc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C34H36N2O3/c1-38-30-17-13-28(14-18-30)34(29-15-19-31(39-2)20-16-29)36-23-21-35(22-24-36)33(37)25-32(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-20,32,34H,21-25H2,1-2H3
InChIKeyCBDZLOJIUYHCHO-UHFFFAOYSA-N
XLogP6.16
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one (CID 10369420) is 1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one is COc1ccc(C(c2ccc(OC)cc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is CBDZLOJIUYHCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O3/c1-38-30-17-13-28(14-18-30)34(29-15-19-31(39-2)20-16-29)36-23-21-35(22-24-36)33(37)25-32(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-20,32,34H,21-25H2,1-2H3.
What are the key properties of 1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 520.67 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 10369420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).