[4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine

C16H22N4 — CID 103442544

IUPAC[4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine
SMILESCc1nc2ccccc2nc1N1CCC(C)CC1CN
InChIInChI=1S/C16H22N4/c1-11-7-8-20(13(9-11)10-17)16-12(2)18-14-5-3-4-6-15(14)19-16/h3-6,11,13H,7-10,17H2,1-2H3
InChIKeyXDEVRMQFSOAPMA-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.50
Rot. Bonds2

About [4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine

[4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine (PubChem CID 103442544) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine
PubChem CID103442544
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine
SMILESCc1nc2ccccc2nc1N1CCC(C)CC1CN
InChIInChI=1S/C16H22N4/c1-11-7-8-20(13(9-11)10-17)16-12(2)18-14-5-3-4-6-15(14)19-16/h3-6,11,13H,7-10,17H2,1-2H3
InChIKeyXDEVRMQFSOAPMA-UHFFFAOYSA-N
XLogP2.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Quipazine
CID 5011
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Methylquipazine
CID 5013
2-Quinoxalinecarbonitrile, 3-(4-(2-propenyl)-1-piperazinyl)-
CID 3073499
Quinoxaline-2,3-diamine
CID 241488
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
6,11-Dihydroquinoxalino[2,3-b]quinoxaline
CID 616479
N-methylquinoxalin-2-amine
CID 351423
2-Methyl-3-(pyrrolidin-1-yl)quinoxaline
CID 238490
2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
CID 11314275
2-(4-Cyclopropyl-piperazin-1-yl)-quinoline
CID 11324846
2-(4-Cyclopentylpiperazin-1-yl)quinoline
CID 11337173

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine (CID 103442544) is [4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine is Cc1nc2ccccc2nc1N1CCC(C)CC1CN.
What is the InChIKey of [4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine?
The InChIKey is XDEVRMQFSOAPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-7-8-20(13(9-11)10-17)16-12(2)18-14-5-3-4-6-15(14)19-16/h3-6,11,13H,7-10,17H2,1-2H3.
What are the key properties of [4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine?
[4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103442544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).