2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine

C14H24N4O2 — CID 62591605

IUPAC2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
SMILESCOCCNCC1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C14H24N4O2/c1-19-10-7-15-11-12-4-8-18(9-5-12)14-16-6-3-13(17-14)20-2/h3,6,12,15H,4-5,7-11H2,1-2H3
InChIKeyJYTCOFXDHZHHQH-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.94
Rot. Bonds7

About 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine

2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine (PubChem CID 62591605) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
PubChem CID62591605
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
SMILESCOCCNCC1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C14H24N4O2/c1-19-10-7-15-11-12-4-8-18(9-5-12)14-16-6-3-13(17-14)20-2/h3,6,12,15H,4-5,7-11H2,1-2H3
InChIKeyJYTCOFXDHZHHQH-UHFFFAOYSA-N
XLogP0.94
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine (CID 62591605) is 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine is COCCNCC1CCN(c2nccc(OC)n2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is JYTCOFXDHZHHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-19-10-7-15-11-12-4-8-18(9-5-12)14-16-6-3-13(17-14)20-2/h3,6,12,15H,4-5,7-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62591605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).