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

C14H19N5 — CID 97165179

IUPAC3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NC[C@@H]1CCCCN1
InChIInChI=1S/C14H19N5/c15-13-14(17-9-10-5-3-4-8-16-10)19-12-7-2-1-6-11(12)18-13/h1-2,6-7,10,16H,3-5,8-9H2,(H2,15,18)(H,17,19)/t10-/m0/s1
InChIKeyUGTUOBAXDIFMMZ-JTQLQIEISA-N
MW257.34 g/mol
LogP1.77
Rot. Bonds3

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

3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine (PubChem CID 97165179) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine
PubChem CID97165179
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NC[C@@H]1CCCCN1
InChIInChI=1S/C14H19N5/c15-13-14(17-9-10-5-3-4-8-16-10)19-12-7-2-1-6-11(12)18-13/h1-2,6-7,10,16H,3-5,8-9H2,(H2,15,18)(H,17,19)/t10-/m0/s1
InChIKeyUGTUOBAXDIFMMZ-JTQLQIEISA-N
XLogP1.77
TPSA75.86 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 ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165181
3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 97164042
3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164043
2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97164706
3-chloro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine
CID 71640743
2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
CID 102984509
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine
CID 102984663
N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71636788
3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine
CID 102983881
3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine
CID 102984126
3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine
CID 102983765

Frequently Asked Questions

What is the IUPAC name of 3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine (CID 97165179) is 3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine is Nc1nc2ccccc2nc1NC[C@@H]1CCCCN1.
What is the InChIKey of 3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine?
The InChIKey is UGTUOBAXDIFMMZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5/c15-13-14(17-9-10-5-3-4-8-16-10)19-12-7-2-1-6-11(12)18-13/h1-2,6-7,10,16H,3-5,8-9H2,(H2,15,18)(H,17,19)/t10-/m0/s1.
What are the key properties of 3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine?
3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 97165179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).