[2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol

C16H18FN3O — CID 56714591

IUPAC[2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol
SMILESOCc1cc(-c2cccc(N3CCNCC3)n2)ccc1F
InChIInChI=1S/C16H18FN3O/c17-14-5-4-12(10-13(14)11-21)15-2-1-3-16(19-15)20-8-6-18-7-9-20/h1-5,10,18,21H,6-9,11H2
InChIKeyBNNZFUYBEXFEAP-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.79
Rot. Bonds3

About [2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol

[2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol (PubChem CID 56714591) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is [2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol
PubChem CID56714591
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name[2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol
SMILESOCc1cc(-c2cccc(N3CCNCC3)n2)ccc1F
InChIInChI=1S/C16H18FN3O/c17-14-5-4-12(10-13(14)11-21)15-2-1-3-16(19-15)20-8-6-18-7-9-20/h1-5,10,18,21H,6-9,11H2
InChIKeyBNNZFUYBEXFEAP-UHFFFAOYSA-N
XLogP1.79
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol?
The IUPAC name of [2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol (CID 56714591) is [2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol.
What is the SMILES notation for [2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol?
The canonical SMILES for [2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol is OCc1cc(-c2cccc(N3CCNCC3)n2)ccc1F.
What is the InChIKey of [2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol?
The InChIKey is BNNZFUYBEXFEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-14-5-4-12(10-13(14)11-21)15-2-1-3-16(19-15)20-8-6-18-7-9-20/h1-5,10,18,21H,6-9,11H2.
What are the key properties of [2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol?
[2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol has a molecular weight of 287.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(6-piperazin-1-yl-2-pyridinyl)phenyl]methanol is sourced from PubChem (CID 56714591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).