1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol

C19H24FN3O — CID 3080589

IUPAC1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol
SMILESOC(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10,18,24H,3-4,11-15H2
InChIKeyLVXYAFNPMXCRJI-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.86
Rot. Bonds6

About 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol

1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol (PubChem CID 3080589) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol
PubChem CID3080589
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol
SMILESOC(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10,18,24H,3-4,11-15H2
InChIKeyLVXYAFNPMXCRJI-UHFFFAOYSA-N
XLogP2.86
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol (CID 3080589) is 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol is OC(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol?
The InChIKey is LVXYAFNPMXCRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10,18,24H,3-4,11-15H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol?
1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol has a molecular weight of 329.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol is sourced from PubChem (CID 3080589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).