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

C19H21FN2O — CID 710849

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O/c20-17-7-9-18(10-8-17)21-12-14-22(15-13-21)19(23)11-6-16-4-2-1-3-5-16/h1-5,7-10H,6,11-15H2
InChIKeyYEUDHEBXLNXSMI-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.11
Rot. Bonds4

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

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 710849) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID710849
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O/c20-17-7-9-18(10-8-17)21-12-14-22(15-13-21)19(23)11-6-16-4-2-1-3-5-16/h1-5,7-10H,6,11-15H2
InChIKeyYEUDHEBXLNXSMI-UHFFFAOYSA-N
XLogP3.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.11
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-phenylpropan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 710849) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is YEUDHEBXLNXSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-17-7-9-18(10-8-17)21-12-14-22(15-13-21)19(23)11-6-16-4-2-1-3-5-16/h1-5,7-10H,6,11-15H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 312.39 g/mol, XLogP of 3.11, 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-phenylpropan-1-one is sourced from PubChem (CID 710849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).