2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol

C17H20FN3O — CID 3044997

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
SMILESOC(CN1CCN(c2ccccc2F)CC1)c1cccnc1
InChIInChI=1S/C17H20FN3O/c18-15-5-1-2-6-16(15)21-10-8-20(9-11-21)13-17(22)14-4-3-7-19-12-14/h1-7,12,17,22H,8-11,13H2
InChIKeyNVZRRNFAUHHTQF-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.08
Rot. Bonds4

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol

2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol (PubChem CID 3044997) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
PubChem CID3044997
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
SMILESOC(CN1CCN(c2ccccc2F)CC1)c1cccnc1
InChIInChI=1S/C17H20FN3O/c18-15-5-1-2-6-16(15)21-10-8-20(9-11-21)13-17(22)14-4-3-7-19-12-14/h1-7,12,17,22H,8-11,13H2
InChIKeyNVZRRNFAUHHTQF-UHFFFAOYSA-N
XLogP2.08
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol (CID 3044997) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol is OC(CN1CCN(c2ccccc2F)CC1)c1cccnc1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
The InChIKey is NVZRRNFAUHHTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-15-5-1-2-6-16(15)21-10-8-20(9-11-21)13-17(22)14-4-3-7-19-12-14/h1-7,12,17,22H,8-11,13H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol?
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol has a molecular weight of 301.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol is sourced from PubChem (CID 3044997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).