1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid

C14H13F2N3O2 — CID 122051206

IUPAC1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cnc3cc(F)c(F)cc3n2)C1
InChIInChI=1S/C14H13F2N3O2/c15-9-4-11-12(5-10(9)16)18-13(6-17-11)19-3-1-2-8(7-19)14(20)21/h4-6,8H,1-3,7H2,(H,20,21)
InChIKeyDEYMAQIZMWGTOZ-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.21
Rot. Bonds2

About 1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid

1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid (PubChem CID 122051206) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid
PubChem CID122051206
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cnc3cc(F)c(F)cc3n2)C1
InChIInChI=1S/C14H13F2N3O2/c15-9-4-11-12(5-10(9)16)18-13(6-17-11)19-3-1-2-8(7-19)14(20)21/h4-6,8H,1-3,7H2,(H,20,21)
InChIKeyDEYMAQIZMWGTOZ-UHFFFAOYSA-N
XLogP2.21
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97168760
1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol
CID 84584086
1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052427
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
CID 163354765
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914108
1-(2,5-difluorophenyl)piperidine-3-carboxylic acid
CID 82537830
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride
CID 139026681
(3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 150032550
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 56767542

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid (CID 122051206) is 1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2cnc3cc(F)c(F)cc3n2)C1.
What is the InChIKey of 1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is DEYMAQIZMWGTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c15-9-4-11-12(5-10(9)16)18-13(6-17-11)19-3-1-2-8(7-19)14(20)21/h4-6,8H,1-3,7H2,(H,20,21).
What are the key properties of 1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid?
1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 293.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122051206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).