6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid

C16H16FN3O3 — CID 155256621

IUPAC6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N2CCC(O)(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H16FN3O3/c17-12-3-1-11(2-4-12)16(23)5-7-20(8-6-16)14-10-18-9-13(19-14)15(21)22/h1-4,9-10,23H,5-8H2,(H,21,22)
InChIKeyOVQVSLRALIMEFH-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.80
Rot. Bonds3

About 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid

6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 155256621) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID155256621
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N2CCC(O)(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H16FN3O3/c17-12-3-1-11(2-4-12)16(23)5-7-20(8-6-16)14-10-18-9-13(19-14)15(21)22/h1-4,9-10,23H,5-8H2,(H,21,22)
InChIKeyOVQVSLRALIMEFH-UHFFFAOYSA-N
XLogP1.80
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid (CID 155256621) is 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cncc(N2CCC(O)(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is OVQVSLRALIMEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c17-12-3-1-11(2-4-12)16(23)5-7-20(8-6-16)14-10-18-9-13(19-14)15(21)22/h1-4,9-10,23H,5-8H2,(H,21,22).
What are the key properties of 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid?
6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 155256621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).