3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol

C13H21N3O — CID 19773570

IUPAC3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol
SMILESCc1ccc(N2CCC(CCCO)CC2)nn1
InChIInChI=1S/C13H21N3O/c1-11-4-5-13(15-14-11)16-8-6-12(7-9-16)3-2-10-17/h4-5,12,17H,2-3,6-10H2,1H3
InChIKeyDGPNWIJEQDMERF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.77
Rot. Bonds4

About 3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol

3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol (PubChem CID 19773570) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol
PubChem CID19773570
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol
SMILESCc1ccc(N2CCC(CCCO)CC2)nn1
InChIInChI=1S/C13H21N3O/c1-11-4-5-13(15-14-11)16-8-6-12(7-9-16)3-2-10-17/h4-5,12,17H,2-3,6-10H2,1H3
InChIKeyDGPNWIJEQDMERF-UHFFFAOYSA-N
XLogP1.77
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
CID 80670031
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
CID 171069967
3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine
CID 89276627
2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol
CID 21077795
2-[(2R)-1-cyclopentyl-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol
CID 95895193
[6-(4-ethylpiperidin-1-yl)pyridazin-3-yl]methanol
CID 61421696
2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane
CID 142321263
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol?
The IUPAC name of 3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol (CID 19773570) is 3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol is Cc1ccc(N2CCC(CCCO)CC2)nn1.
What is the InChIKey of 3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol?
The InChIKey is DGPNWIJEQDMERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-4-5-13(15-14-11)16-8-6-12(7-9-16)3-2-10-17/h4-5,12,17H,2-3,6-10H2,1H3.
What are the key properties of 3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol?
3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 19773570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).