N-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine

C13H22N4O — CID 106996323

IUPACN-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine
SMILESCC1CC(Nc2cncc(OC(C)C)n2)CCN1
InChIInChI=1S/C13H22N4O/c1-9(2)18-13-8-14-7-12(17-13)16-11-4-5-15-10(3)6-11/h7-11,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyMXDBYUCRNZXOHL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.82
Rot. Bonds4

About N-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine

N-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine (PubChem CID 106996323) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine
PubChem CID106996323
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine
SMILESCC1CC(Nc2cncc(OC(C)C)n2)CCN1
InChIInChI=1S/C13H22N4O/c1-9(2)18-13-8-14-7-12(17-13)16-11-4-5-15-10(3)6-11/h7-11,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyMXDBYUCRNZXOHL-UHFFFAOYSA-N
XLogP1.82
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine (CID 106996323) is N-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine is CC1CC(Nc2cncc(OC(C)C)n2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine?
The InChIKey is MXDBYUCRNZXOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)18-13-8-14-7-12(17-13)16-11-4-5-15-10(3)6-11/h7-11,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine?
N-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 106996323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).