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

C19H23FN2O — CID 10805222

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol
SMILESOC(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H23FN2O/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/h1-9,19,23H,10-15H2
InChIKeyZVBKPKJTFRRRND-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.07
Rot. Bonds5

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

3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol (PubChem CID 10805222) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol
PubChem CID10805222
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol
SMILESOC(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H23FN2O/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/h1-9,19,23H,10-15H2
InChIKeyZVBKPKJTFRRRND-UHFFFAOYSA-N
XLogP3.07
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
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-ol?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol (CID 10805222) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol is OC(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The InChIKey is ZVBKPKJTFRRRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/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/h1-9,19,23H,10-15H2.
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol has a molecular weight of 314.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 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-ol is sourced from PubChem (CID 10805222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).