1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol

C13H19FN2O — CID 82073403

IUPAC1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
SMILESOC(CCN1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c14-12-3-1-11(2-4-12)13(17)5-8-16-9-6-15-7-10-16/h1-4,13,15,17H,5-10H2
InChIKeyGTKRLLXTAMYOHC-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.15
Rot. Bonds4

About 1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol

1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 82073403) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
PubChem CID82073403
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
SMILESOC(CCN1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c14-12-3-1-11(2-4-12)13(17)5-8-16-9-6-15-7-10-16/h1-4,13,15,17H,5-10H2
InChIKeyGTKRLLXTAMYOHC-UHFFFAOYSA-N
XLogP1.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 62932007
1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82265087
3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 140969182
1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol
CID 82287228
3-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073590
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
1-(4-fluorophenyl)-4-morpholin-4-ylbutan-1-ol
CID 4132449
(1S)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 10027543
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol
CID 3072614
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol
CID 82074067
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)propan-1-ol
CID 79916131

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol (CID 82073403) is 1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol is OC(CCN1CCNCC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is GTKRLLXTAMYOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-12-3-1-11(2-4-12)13(17)5-8-16-9-6-15-7-10-16/h1-4,13,15,17H,5-10H2.
What are the key properties of 1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol?
1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 238.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82073403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).