3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine

C19H26N4O — CID 133305164

IUPAC3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC1CCN(CC2CCOC2)CC1
InChIInChI=1S/C19H26N4O/c1-14-19(22-18-5-3-2-4-17(18)20-14)21-16-6-9-23(10-7-16)12-15-8-11-24-13-15/h2-5,15-16H,6-13H2,1H3,(H,21,22)
InChIKeyIZSJDCLLNBELPC-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.85
Rot. Bonds4

About 3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine

3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine (PubChem CID 133305164) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine
PubChem CID133305164
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC1CCN(CC2CCOC2)CC1
InChIInChI=1S/C19H26N4O/c1-14-19(22-18-5-3-2-4-17(18)20-14)21-16-6-9-23(10-7-16)12-15-8-11-24-13-15/h2-5,15-16H,6-13H2,1H3,(H,21,22)
InChIKeyIZSJDCLLNBELPC-UHFFFAOYSA-N
XLogP2.85
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine
CID 125135997
2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133305271
N-(4-ethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 63539648
3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62350855
N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133305265
N-(2-nitrophenyl)-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 133305220
6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine
CID 171359747
3-methyl-N-(4-propylcyclohexyl)quinoxalin-2-amine
CID 63541823
1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one
CID 124515152
4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95862588
4-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 126766581
6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine
CID 133305195

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine (CID 133305164) is 3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine is Cc1nc2ccccc2nc1NC1CCN(CC2CCOC2)CC1.
What is the InChIKey of 3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine?
The InChIKey is IZSJDCLLNBELPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-19(22-18-5-3-2-4-17(18)20-14)21-16-6-9-23(10-7-16)12-15-8-11-24-13-15/h2-5,15-16H,6-13H2,1H3,(H,21,22).
What are the key properties of 3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine?
3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine has a molecular weight of 326.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine is sourced from PubChem (CID 133305164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).