N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine

C17H24N4 — CID 107163357

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
SMILESCN1CCC(C)(CNCc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H24N4/c1-17(7-9-21(2)10-8-17)13-18-11-14-12-19-15-5-3-4-6-16(15)20-14/h3-6,12,18H,7-11,13H2,1-2H3
InChIKeyXBSYFBAYBOZHDY-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.45
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine (PubChem CID 107163357) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
PubChem CID107163357
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
SMILESCN1CCC(C)(CNCc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H24N4/c1-17(7-9-21(2)10-8-17)13-18-11-14-12-19-15-5-3-4-6-16(15)20-14/h3-6,12,18H,7-11,13H2,1-2H3
InChIKeyXBSYFBAYBOZHDY-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Quinoxaline
CID 7045
2-Methylquinoxaline
CID 23686
5-Aminoquinoxaline
CID 85494
4-Piperazin-1-yl-quinoline
CID 1534386
3-(2-Quinoxalinyl)aniline
CID 807264
4-(Quinoxalin-2-yl)aniline
CID 761862
N-[(3,5-Dimethylpyridin-2-yl)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 53321039
2,3-Bis(2-pyridyl)quinoxaline
CID 97023
2-Methylquinoxalin-6-amine
CID 12666714
N-[2-(Dimethylamino)ethyl]-2-(3-pyridyl)quinolin-4-amine
CID 453066
6-(4-Methylpiperazin-1-yl)quinoxaline
CID 1491639
(2-Piperidin-1-yl-ethyl)-quinolin-4-yl-amine; Oxalic acid
CID 10956157

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine (CID 107163357) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine is CN1CCC(C)(CNCc2cnc3ccccc3n2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine?
The InChIKey is XBSYFBAYBOZHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-17(7-9-21(2)10-8-17)13-18-11-14-12-19-15-5-3-4-6-16(15)20-14/h3-6,12,18H,7-11,13H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine is sourced from PubChem (CID 107163357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).