5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine

C13H22N4O — CID 106588865

IUPAC5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(CN2CCCC(COC)C2)cn1
InChIInChI=1S/C13H22N4O/c1-14-13-7-15-12(6-16-13)9-17-5-3-4-11(8-17)10-18-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,14,16)
InChIKeyWKFRFDHCCVSPLC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.38
Rot. Bonds5

About 5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine

5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine (PubChem CID 106588865) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine
PubChem CID106588865
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(CN2CCCC(COC)C2)cn1
InChIInChI=1S/C13H22N4O/c1-14-13-7-15-12(6-16-13)9-17-5-3-4-11(8-17)10-18-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,14,16)
InChIKeyWKFRFDHCCVSPLC-UHFFFAOYSA-N
XLogP1.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056523
N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056527
4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol
CID 103056974
N-methyl-5-[(4-propylpiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056267
N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 110112709
N-methyl-5-[[(4R)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124994699
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine
CID 103056944
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 106587020
5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 115642522
[5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061203
5-[[4-(methoxymethyl)piperidin-1-yl]methyl]pyrazin-2-amine
CID 103056498
2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103056819

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine (CID 106588865) is 5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine is CNc1cnc(CN2CCCC(COC)C2)cn1.
What is the InChIKey of 5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine?
The InChIKey is WKFRFDHCCVSPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-14-13-7-15-12(6-16-13)9-17-5-3-4-11(8-17)10-18-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,14,16).
What are the key properties of 5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine?
5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 106588865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).