6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine

C14H17N5O2 — CID 97177886

IUPAC6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCCN3)cnc2c1
InChIInChI=1S/C14H17N5O2/c20-19(21)11-4-5-12-13(7-11)16-9-14(18-12)17-8-10-3-1-2-6-15-10/h4-5,7,9-10,15H,1-3,6,8H2,(H,17,18)/t10-/m0/s1
InChIKeySCJPTAOKLSNNHR-JTQLQIEISA-N
MW287.32 g/mol
LogP2.09
Rot. Bonds4

About 6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine

6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine (PubChem CID 97177886) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound Name6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
PubChem CID97177886
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCCN3)cnc2c1
InChIInChI=1S/C14H17N5O2/c20-19(21)11-4-5-12-13(7-11)16-9-14(18-12)17-8-10-3-1-2-6-15-10/h4-5,7,9-10,15H,1-3,6,8H2,(H,17,18)/t10-/m0/s1
InChIKeySCJPTAOKLSNNHR-JTQLQIEISA-N
XLogP2.09
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71635780
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride
CID 71635812
6-nitro-2-[(R)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]quinoxaline
CID 97178131
N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164338
6-nitro-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71635770
4-nitro-2-(piperidin-2-ylmethyl)phenol
CID 117344884
tert-butyl (3S)-3-[[(6-nitroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 97172273
5-nitro-2-(2-piperidin-2-ylethoxy)-1,3-benzoxazole;hydrochloride
CID 71635936
tert-butyl (3S)-3-[[(6-nitroquinoxalin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97171211
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-1,3-benzoxazole
CID 97177921
6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine
CID 104973003

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine?
The IUPAC name of 6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine (CID 97177886) is 6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine.
What is the SMILES notation for 6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine?
The canonical SMILES for 6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine is O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCCN3)cnc2c1.
What is the InChIKey of 6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine?
The InChIKey is SCJPTAOKLSNNHR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N5O2/c20-19(21)11-4-5-12-13(7-11)16-9-14(18-12)17-8-10-3-1-2-6-15-10/h4-5,7,9-10,15H,1-3,6,8H2,(H,17,18)/t10-/m0/s1.
What are the key properties of 6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine?
6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 97177886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).