3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine

C16H23N5 — CID 102983851

IUPAC3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine
SMILESCC(CNc1nc2ccccc2nc1N)N1CCCCC1
InChIInChI=1S/C16H23N5/c1-12(21-9-5-2-6-10-21)11-18-16-15(17)19-13-7-3-4-8-14(13)20-16/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,17,19)(H,18,20)
InChIKeyCPEOFEJBZCAGAZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.50
Rot. Bonds4

About 3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine

3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine (PubChem CID 102983851) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine
PubChem CID102983851
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine
SMILESCC(CNc1nc2ccccc2nc1N)N1CCCCC1
InChIInChI=1S/C16H23N5/c1-12(21-9-5-2-6-10-21)11-18-16-15(17)19-13-7-3-4-8-14(13)20-16/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,17,19)(H,18,20)
InChIKeyCPEOFEJBZCAGAZ-UHFFFAOYSA-N
XLogP2.50
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinoxalin-2-amine
CID 133301516
N-[2-(azocan-1-yl)propyl]aniline
CID 62558695
3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine
CID 102987287
4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80814271
4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine
CID 80818981
3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 55111712
2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 102987185
1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine
CID 103078748
N-(2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 61017565
(2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol
CID 99582304
3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine
CID 114046187
3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine
CID 102987232

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine (CID 102983851) is 3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine is CC(CNc1nc2ccccc2nc1N)N1CCCCC1.
What is the InChIKey of 3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine?
The InChIKey is CPEOFEJBZCAGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(21-9-5-2-6-10-21)11-18-16-15(17)19-13-7-3-4-8-14(13)20-16/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine?
3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102983851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).