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

C33H34N2O2 — CID 10458304

IUPAC1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESCOc1ccc(C(c2ccccc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C33H34N2O2/c1-37-30-19-17-29(18-20-30)33(28-15-9-4-10-16-28)35-23-21-34(22-24-35)32(36)25-31(26-11-5-2-6-12-26)27-13-7-3-8-14-27/h2-20,31,33H,21-25H2,1H3
InChIKeyHWGMUVSZGFXYSD-UHFFFAOYSA-N
MW490.65 g/mol
LogP6.15
Rot. Bonds8

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

1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 10458304) has the molecular formula C33H34N2O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID10458304
Molecular FormulaC33H34N2O2
Molecular Weight490.65 g/mol
Exact Mass490.26
IUPAC Name1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESCOc1ccc(C(c2ccccc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C33H34N2O2/c1-37-30-19-17-29(18-20-30)33(28-15-9-4-10-16-28)35-23-21-34(22-24-35)32(36)25-31(26-11-5-2-6-12-26)27-13-7-3-8-14-27/h2-20,31,33H,21-25H2,1H3
InChIKeyHWGMUVSZGFXYSD-UHFFFAOYSA-N
XLogP6.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one (CID 10458304) is 1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one is COc1ccc(C(c2ccccc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is HWGMUVSZGFXYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O2/c1-37-30-19-17-29(18-20-30)33(28-15-9-4-10-16-28)35-23-21-34(22-24-35)32(36)25-31(26-11-5-2-6-12-26)27-13-7-3-8-14-27/h2-20,31,33H,21-25H2,1H3.
What are the key properties of 1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 490.65 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 10458304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).