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

C19H21FN2O — CID 10686563

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-one
SMILESO=C(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H21FN2O/c20-17-6-8-18(9-7-17)22-14-12-21(13-15-22)11-10-19(23)16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyNXCCMUDPNPXACY-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.22
Rot. Bonds5

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

3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-one (PubChem CID 10686563) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-one
PubChem CID10686563
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-one
SMILESO=C(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H21FN2O/c20-17-6-8-18(9-7-17)22-14-12-21(13-15-22)11-10-19(23)16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyNXCCMUDPNPXACY-UHFFFAOYSA-N
XLogP3.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-one?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-one (CID 10686563) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-one?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-one is O=C(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-one?
The InChIKey is NXCCMUDPNPXACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-17-6-8-18(9-7-17)22-14-12-21(13-15-22)11-10-19(23)16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-one?
3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-one has a molecular weight of 312.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 10686563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).