1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone

C20H24N2O — CID 756869

IUPAC1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-17(23)22-14-12-21(13-15-22)16-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20H,12-16H2,1H3
InChIKeyCMGWTZKWWMXQFC-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.98
Rot. Bonds4

About 1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone

1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone (PubChem CID 756869) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone
PubChem CID756869
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-17(23)22-14-12-21(13-15-22)16-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20H,12-16H2,1H3
InChIKeyCMGWTZKWWMXQFC-UHFFFAOYSA-N
XLogP2.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone (CID 756869) is 1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone?
The InChIKey is CMGWTZKWWMXQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-17(23)22-14-12-21(13-15-22)16-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20H,12-16H2,1H3.
What are the key properties of 1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone?
1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone has a molecular weight of 308.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-diphenylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 756869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).