3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol

C13H19FN2O — CID 67722898

IUPAC3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol
SMILESOCCCC1CNCCN1c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c14-11-3-5-12(6-4-11)16-8-7-15-10-13(16)2-1-9-17/h3-6,13,15,17H,1-2,7-10H2
InChIKeyUAONVTFNCTZGMB-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.38
Rot. Bonds4

About 3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol

3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol (PubChem CID 67722898) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol
PubChem CID67722898
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol
SMILESOCCCC1CNCCN1c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c14-11-3-5-12(6-4-11)16-8-7-15-10-13(16)2-1-9-17/h3-6,13,15,17H,1-2,7-10H2
InChIKeyUAONVTFNCTZGMB-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol (CID 67722898) is 3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol is OCCCC1CNCCN1c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol?
The InChIKey is UAONVTFNCTZGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-11-3-5-12(6-4-11)16-8-7-15-10-13(16)2-1-9-17/h3-6,13,15,17H,1-2,7-10H2.
What are the key properties of 3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol?
3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol has a molecular weight of 238.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol is sourced from PubChem (CID 67722898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).