2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid

C15H16F2N4O2 — CID 67090810

IUPAC2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C15H16F2N4O2/c16-10-5-12-13(6-11(10)17)20-14(8-18-12)19-7-9-3-1-2-4-21(9)15(22)23/h5-6,8-9H,1-4,7H2,(H,19,20)(H,22,23)
InChIKeyNEMAAHUJKMUQRR-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.85
Rot. Bonds3

About 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid

2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 67090810) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID67090810
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C15H16F2N4O2/c16-10-5-12-13(6-11(10)17)20-14(8-18-12)19-7-9-3-1-2-4-21(9)15(22)23/h5-6,8-9H,1-4,7H2,(H,19,20)(H,22,23)
InChIKeyNEMAAHUJKMUQRR-UHFFFAOYSA-N
XLogP2.85
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid
CID 67090626
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid
CID 70037628
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone
CID 10296530
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone
CID 67090343
1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 138650688
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 67090360
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 67090606
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 67089912
3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 10295783
2-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carbonyl]-7-fluoro-1-benzofuran-3-one
CID 69308206
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 10298609
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1-methyltriazol-4-yl]methanone
CID 67090365

Frequently Asked Questions

What is the IUPAC name of 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid (CID 67090810) is 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1.
What is the InChIKey of 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is NEMAAHUJKMUQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c16-10-5-12-13(6-11(10)17)20-14(8-18-12)19-7-9-3-1-2-4-21(9)15(22)23/h5-6,8-9H,1-4,7H2,(H,19,20)(H,22,23).
What are the key properties of 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67090810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).