[2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone

C32H32N2O2 — CID 87612860

IUPAC[2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccccc3)C(CC(c3ccccc3)c3ccccc3)C2)c1
InChIInChI=1S/C32H32N2O2/c1-36-30-19-11-18-28(22-30)33-20-21-34(32(35)27-16-9-4-10-17-27)29(24-33)23-31(25-12-5-2-6-13-25)26-14-7-3-8-15-26/h2-19,22,29,31H,20-21,23-24H2,1H3
InChIKeyDMXXXHUWQFYZRB-UHFFFAOYSA-N
MW476.62 g/mol
LogP6.25
Rot. Bonds7

About [2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone

[2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone (PubChem CID 87612860) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is [2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone
PubChem CID87612860
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC Name[2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccccc3)C(CC(c3ccccc3)c3ccccc3)C2)c1
InChIInChI=1S/C32H32N2O2/c1-36-30-19-11-18-28(22-30)33-20-21-34(32(35)27-16-9-4-10-17-27)29(24-33)23-31(25-12-5-2-6-13-25)26-14-7-3-8-15-26/h2-19,22,29,31H,20-21,23-24H2,1H3
InChIKeyDMXXXHUWQFYZRB-UHFFFAOYSA-N
XLogP6.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone (CID 87612860) is [2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone is COc1cccc(N2CCN(C(=O)c3ccccc3)C(CC(c3ccccc3)c3ccccc3)C2)c1.
What is the InChIKey of [2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is DMXXXHUWQFYZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O2/c1-36-30-19-11-18-28(22-30)33-20-21-34(32(35)27-16-9-4-10-17-27)29(24-33)23-31(25-12-5-2-6-13-25)26-14-7-3-8-15-26/h2-19,22,29,31H,20-21,23-24H2,1H3.
What are the key properties of [2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone?
[2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 476.62 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-diphenylethyl)-4-(3-methoxyphenyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 87612860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).