1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone

C20H23FN2O2 — CID 56812942

IUPAC1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(CC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O2/c21-18-8-6-17(7-9-18)19(24)15-22-10-12-23(13-11-22)20(25)14-16-4-2-1-3-5-16/h1-9,19,24H,10-15H2
InChIKeyBZQUXGMKYUCBCR-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.25
Rot. Bonds5

About 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone

1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 56812942) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone
PubChem CID56812942
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(CC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O2/c21-18-8-6-17(7-9-18)19(24)15-22-10-12-23(13-11-22)20(25)14-16-4-2-1-3-5-16/h1-9,19,24H,10-15H2
InChIKeyBZQUXGMKYUCBCR-UHFFFAOYSA-N
XLogP2.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone (CID 56812942) is 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(CC(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is BZQUXGMKYUCBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-8-6-17(7-9-18)19(24)15-22-10-12-23(13-11-22)20(25)14-16-4-2-1-3-5-16/h1-9,19,24H,10-15H2.
What are the key properties of 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone?
1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 342.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 56812942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).