(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol

C13H21N3O — CID 134595598

IUPAC(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
SMILESCC(C)(C)c1ccc(N2CCC[C@H](O)C2)nn1
InChIInChI=1S/C13H21N3O/c1-13(2,3)11-6-7-12(15-14-11)16-8-4-5-10(17)9-16/h6-7,10,17H,4-5,8-9H2,1-3H3/t10-/m0/s1
InChIKeyKDHZRHXJCGAFNS-JTQLQIEISA-N
MW235.33 g/mol
LogP1.74
Rot. Bonds1

About (3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol

(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol (PubChem CID 134595598) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
PubChem CID134595598
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
SMILESCC(C)(C)c1ccc(N2CCC[C@H](O)C2)nn1
InChIInChI=1S/C13H21N3O/c1-13(2,3)11-6-7-12(15-14-11)16-8-4-5-10(17)9-16/h6-7,10,17H,4-5,8-9H2,1-3H3/t10-/m0/s1
InChIKeyKDHZRHXJCGAFNS-JTQLQIEISA-N
XLogP1.74
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol (CID 134595598) is (3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol is CC(C)(C)c1ccc(N2CCC[C@H](O)C2)nn1.
What is the InChIKey of (3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol?
The InChIKey is KDHZRHXJCGAFNS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)11-6-7-12(15-14-11)16-8-4-5-10(17)9-16/h6-7,10,17H,4-5,8-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol?
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol is sourced from PubChem (CID 134595598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).