3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine

C12H20N4O — CID 22135591

IUPAC3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine
SMILESCOc1nc(C)cnc1NCC1CCNCC1
InChIInChI=1S/C12H20N4O/c1-9-7-14-11(12(16-9)17-2)15-8-10-3-5-13-6-4-10/h7,10,13H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyFFPGRZSYIGTPEB-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.21
Rot. Bonds4

About 3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine

3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine (PubChem CID 22135591) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine
PubChem CID22135591
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine
SMILESCOc1nc(C)cnc1NCC1CCNCC1
InChIInChI=1S/C12H20N4O/c1-9-7-14-11(12(16-9)17-2)15-8-10-3-5-13-6-4-10/h7,10,13H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyFFPGRZSYIGTPEB-UHFFFAOYSA-N
XLogP1.21
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine (CID 22135591) is 3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine is COc1nc(C)cnc1NCC1CCNCC1.
What is the InChIKey of 3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine?
The InChIKey is FFPGRZSYIGTPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-7-14-11(12(16-9)17-2)15-8-10-3-5-13-6-4-10/h7,10,13H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of 3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine?
3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 22135591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).