[1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol

C15H19N3OS — CID 45249117

IUPAC[1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol
SMILESCc1ccc(N2CCC(C(O)c3cccs3)CC2)nn1
InChIInChI=1S/C15H19N3OS/c1-11-4-5-14(17-16-11)18-8-6-12(7-9-18)15(19)13-3-2-10-20-13/h2-5,10,12,15,19H,6-9H2,1H3
InChIKeyAXVNNMLIJXOLFV-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.80
Rot. Bonds3

About [1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol

[1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol (PubChem CID 45249117) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is [1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol
PubChem CID45249117
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name[1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol
SMILESCc1ccc(N2CCC(C(O)c3cccs3)CC2)nn1
InChIInChI=1S/C15H19N3OS/c1-11-4-5-14(17-16-11)18-8-6-12(7-9-18)15(19)13-3-2-10-20-13/h2-5,10,12,15,19H,6-9H2,1H3
InChIKeyAXVNNMLIJXOLFV-UHFFFAOYSA-N
XLogP2.80
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol?
The IUPAC name of [1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol (CID 45249117) is [1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for [1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol?
The canonical SMILES for [1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol is Cc1ccc(N2CCC(C(O)c3cccs3)CC2)nn1.
What is the InChIKey of [1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol?
The InChIKey is AXVNNMLIJXOLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-4-5-14(17-16-11)18-8-6-12(7-9-18)15(19)13-3-2-10-20-13/h2-5,10,12,15,19H,6-9H2,1H3.
What are the key properties of [1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol?
[1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol has a molecular weight of 289.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methylpyridazin-3-yl)piperidin-4-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 45249117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).