3-methyl-3-pyridin-4-yloxybutan-1-ol

C10H15NO2 — CID 139639068

IUPAC3-methyl-3-pyridin-4-yloxybutan-1-ol
SMILESCC(C)(CCO)Oc1ccncc1
InChIInChI=1S/C10H15NO2/c1-10(2,5-8-12)13-9-3-6-11-7-4-9/h3-4,6-7,12H,5,8H2,1-2H3
InChIKeyPLCPDGGPKXRWQT-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.62
Rot. Bonds4

About 3-methyl-3-pyridin-4-yloxybutan-1-ol

3-methyl-3-pyridin-4-yloxybutan-1-ol (PubChem CID 139639068) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-3-pyridin-4-yloxybutan-1-ol.

Molecular Properties

Compound Name3-methyl-3-pyridin-4-yloxybutan-1-ol
PubChem CID139639068
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-methyl-3-pyridin-4-yloxybutan-1-ol
SMILESCC(C)(CCO)Oc1ccncc1
InChIInChI=1S/C10H15NO2/c1-10(2,5-8-12)13-9-3-6-11-7-4-9/h3-4,6-7,12H,5,8H2,1-2H3
InChIKeyPLCPDGGPKXRWQT-UHFFFAOYSA-N
XLogP1.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-3-pyridin-4-yloxybutan-1-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 3-methyl-3-pyridin-4-yloxybutan-1-ol?
The IUPAC name of 3-methyl-3-pyridin-4-yloxybutan-1-ol (CID 139639068) is 3-methyl-3-pyridin-4-yloxybutan-1-ol.
What is the SMILES notation for 3-methyl-3-pyridin-4-yloxybutan-1-ol?
The canonical SMILES for 3-methyl-3-pyridin-4-yloxybutan-1-ol is CC(C)(CCO)Oc1ccncc1.
What is the InChIKey of 3-methyl-3-pyridin-4-yloxybutan-1-ol?
The InChIKey is PLCPDGGPKXRWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2,5-8-12)13-9-3-6-11-7-4-9/h3-4,6-7,12H,5,8H2,1-2H3.
What are the key properties of 3-methyl-3-pyridin-4-yloxybutan-1-ol?
3-methyl-3-pyridin-4-yloxybutan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pyridin-4-yloxybutan-1-ol is sourced from PubChem (CID 139639068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).