1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone

C20H24N2O2 — CID 4552273

IUPAC1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(CC(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-16(23)17-7-9-19(10-8-17)22-13-11-21(12-14-22)15-20(24)18-5-3-2-4-6-18/h2-10,20,24H,11-15H2,1H3
InChIKeyNEWYVECYIRUPJC-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.74
Rot. Bonds5

About 1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 4552273) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone
PubChem CID4552273
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(CC(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-16(23)17-7-9-19(10-8-17)22-13-11-21(12-14-22)15-20(24)18-5-3-2-4-6-18/h2-10,20,24H,11-15H2,1H3
InChIKeyNEWYVECYIRUPJC-UHFFFAOYSA-N
XLogP2.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone (CID 4552273) is 1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(CC(O)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is NEWYVECYIRUPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16(23)17-7-9-19(10-8-17)22-13-11-21(12-14-22)15-20(24)18-5-3-2-4-6-18/h2-10,20,24H,11-15H2,1H3.
What are the key properties of 1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 4552273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).