1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol

C13H21N3O — CID 134406272

IUPAC1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol
SMILESCc1cc(N2CCCC(O)C2)nnc1C(C)C
InChIInChI=1S/C13H21N3O/c1-9(2)13-10(3)7-12(14-15-13)16-6-4-5-11(17)8-16/h7,9,11,17H,4-6,8H2,1-3H3
InChIKeyYRHHYOUCOYYNQE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.87
Rot. Bonds2

About 1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol

1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol (PubChem CID 134406272) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol
PubChem CID134406272
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol
SMILESCc1cc(N2CCCC(O)C2)nnc1C(C)C
InChIInChI=1S/C13H21N3O/c1-9(2)13-10(3)7-12(14-15-13)16-6-4-5-11(17)8-16/h7,9,11,17H,4-6,8H2,1-3H3
InChIKeyYRHHYOUCOYYNQE-UHFFFAOYSA-N
XLogP1.87
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114767338
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 45485737
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol
CID 56770757
1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
CID 47151307
1-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]piperidin-3-ol
CID 116972808
6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine
CID 175648004
1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770780

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol?
The IUPAC name of 1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol (CID 134406272) is 1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol.
What is the SMILES notation for 1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol?
The canonical SMILES for 1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol is Cc1cc(N2CCCC(O)C2)nnc1C(C)C.
What is the InChIKey of 1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol?
The InChIKey is YRHHYOUCOYYNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)13-10(3)7-12(14-15-13)16-6-4-5-11(17)8-16/h7,9,11,17H,4-6,8H2,1-3H3.
What are the key properties of 1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol?
1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-6-propan-2-ylpyridazin-3-yl)piperidin-3-ol is sourced from PubChem (CID 134406272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).