2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine

C14H19N5 — CID 71642523

IUPAC2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine
SMILESCNc1nc2ccccc2nc1N[C@@H]1CCCNC1
InChIInChI=1S/C14H19N5/c1-15-13-14(17-10-5-4-8-16-9-10)19-12-7-3-2-6-11(12)18-13/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H,15,18)(H,17,19)/t10-/m1/s1
InChIKeyLGKYZFPRAQYDIZ-SNVBAGLBSA-N
MW257.34 g/mol
LogP1.84
Rot. Bonds3

About 2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine

2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine (PubChem CID 71642523) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine
PubChem CID71642523
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine
SMILESCNc1nc2ccccc2nc1N[C@@H]1CCCNC1
InChIInChI=1S/C14H19N5/c1-15-13-14(17-10-5-4-8-16-9-10)19-12-7-3-2-6-11(12)18-13/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H,15,18)(H,17,19)/t10-/m1/s1
InChIKeyLGKYZFPRAQYDIZ-SNVBAGLBSA-N
XLogP1.84
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-3-N-[[(3S)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine
CID 97164709
2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine
CID 97164708
N-cyclopropyl-3-[(3R)-piperidin-3-yl]oxyquinoxalin-2-amine
CID 71637298
2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642503
3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine
CID 71642527
N-[(3S)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637361
N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637322
2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97164706
N-piperidin-3-ylpyridin-2-amine
CID 63321128
3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine
CID 97164701
6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 91221809
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine?
The IUPAC name of 2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine (CID 71642523) is 2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine?
The canonical SMILES for 2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine is CNc1nc2ccccc2nc1N[C@@H]1CCCNC1.
What is the InChIKey of 2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine?
The InChIKey is LGKYZFPRAQYDIZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N5/c1-15-13-14(17-10-5-4-8-16-9-10)19-12-7-3-2-6-11(12)18-13/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H,15,18)(H,17,19)/t10-/m1/s1.
What are the key properties of 2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine?
2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine is sourced from PubChem (CID 71642523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).