N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine

C14H24N4O — CID 55058469

IUPACN-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC2CCN(C)CC2)nn1
InChIInChI=1S/C14H24N4O/c1-3-8-15-11-12-4-5-14(17-16-12)19-13-6-9-18(2)10-7-13/h4-5,13,15H,3,6-11H2,1-2H3
InChIKeyAJIVSNTTZJLELL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.45
Rot. Bonds6

About N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine

N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine (PubChem CID 55058469) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
PubChem CID55058469
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC2CCN(C)CC2)nn1
InChIInChI=1S/C14H24N4O/c1-3-8-15-11-12-4-5-14(17-16-12)19-13-6-9-18(2)10-7-13/h4-5,13,15H,3,6-11H2,1-2H3
InChIKeyAJIVSNTTZJLELL-UHFFFAOYSA-N
XLogP1.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine (CID 55058469) is N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(OC2CCN(C)CC2)nn1.
What is the InChIKey of N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is AJIVSNTTZJLELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-8-15-11-12-4-5-14(17-16-12)19-13-6-9-18(2)10-7-13/h4-5,13,15H,3,6-11H2,1-2H3.
What are the key properties of N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55058469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).