N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine

C15H20N4 — CID 55100756

IUPACN-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine
SMILESCN1CCCC(CNc2ccc3nccnc3c2)C1
InChIInChI=1S/C15H20N4/c1-19-8-2-3-12(11-19)10-18-13-4-5-14-15(9-13)17-7-6-16-14/h4-7,9,12,18H,2-3,8,10-11H2,1H3
InChIKeyVNXMHDKKOMMAFI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.38
Rot. Bonds3

About N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine

N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine (PubChem CID 55100756) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine
PubChem CID55100756
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine
SMILESCN1CCCC(CNc2ccc3nccnc3c2)C1
InChIInChI=1S/C15H20N4/c1-19-8-2-3-12(11-19)10-18-13-4-5-14-15(9-13)17-7-6-16-14/h4-7,9,12,18H,2-3,8,10-11H2,1H3
InChIKeyVNXMHDKKOMMAFI-UHFFFAOYSA-N
XLogP2.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 62656149
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol
CID 64780913
6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine
CID 81260551
6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
CID 55099888
3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655457
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzonitrile
CID 81273459
3-chloro-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 55100033
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]benzonitrile
CID 113295642
3-bromo-N-[(1-methylpiperidin-3-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107335835
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 62655999
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzenecarbothioamide
CID 81276733
4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62659787

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine (CID 55100756) is N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine is CN1CCCC(CNc2ccc3nccnc3c2)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine?
The InChIKey is VNXMHDKKOMMAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-19-8-2-3-12(11-19)10-18-13-4-5-14-15(9-13)17-7-6-16-14/h4-7,9,12,18H,2-3,8,10-11H2,1H3.
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine?
N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine has a molecular weight of 256.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine is sourced from PubChem (CID 55100756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).