1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one

C20H23FN2O — CID 2913943

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H23FN2O/c1-16(17-5-3-2-4-6-17)15-20(24)23-13-11-22(12-14-23)19-9-7-18(21)8-10-19/h2-10,16H,11-15H2,1H3
InChIKeyVBEQIMVOCGHDPR-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.67
Rot. Bonds4

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one (PubChem CID 2913943) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one
PubChem CID2913943
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H23FN2O/c1-16(17-5-3-2-4-6-17)15-20(24)23-13-11-22(12-14-23)19-9-7-18(21)8-10-19/h2-10,16H,11-15H2,1H3
InChIKeyVBEQIMVOCGHDPR-UHFFFAOYSA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one (CID 2913943) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one is CC(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one?
The InChIKey is VBEQIMVOCGHDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-16(17-5-3-2-4-6-17)15-20(24)23-13-11-22(12-14-23)19-9-7-18(21)8-10-19/h2-10,16H,11-15H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one has a molecular weight of 326.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 2913943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).