3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine

C15H21N5 — CID 102984126

IUPAC3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine
SMILESCN1CCC(CNc2nc3ccccc3nc2N)CC1
InChIInChI=1S/C15H21N5/c1-20-8-6-11(7-9-20)10-17-15-14(16)18-12-4-2-3-5-13(12)19-15/h2-5,11H,6-10H2,1H3,(H2,16,18)(H,17,19)
InChIKeyGHAUAGPECABEAE-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.97
Rot. Bonds3

About 3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine

3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine (PubChem CID 102984126) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine
PubChem CID102984126
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine
SMILESCN1CCC(CNc2nc3ccccc3nc2N)CC1
InChIInChI=1S/C15H21N5/c1-20-8-6-11(7-9-20)10-17-15-14(16)18-12-4-2-3-5-13(12)19-15/h2-5,11H,6-10H2,1H3,(H2,16,18)(H,17,19)
InChIKeyGHAUAGPECABEAE-UHFFFAOYSA-N
XLogP1.97
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine (CID 102984126) is 3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine is CN1CCC(CNc2nc3ccccc3nc2N)CC1.
What is the InChIKey of 3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine?
The InChIKey is GHAUAGPECABEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-20-8-6-11(7-9-20)10-17-15-14(16)18-12-4-2-3-5-13(12)19-15/h2-5,11H,6-10H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine?
3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine has a molecular weight of 271.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 102984126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).