1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol

C12H25NO2 — CID 107394547

IUPAC1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
SMILESCOC1(C)CCCN(CC(O)C(C)C)C1
InChIInChI=1S/C12H25NO2/c1-10(2)11(14)8-13-7-5-6-12(3,9-13)15-4/h10-11,14H,5-9H2,1-4H3
InChIKeyXEKPVHIZZOZZJU-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.50
Rot. Bonds4

About 1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol

1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol (PubChem CID 107394547) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
PubChem CID107394547
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
SMILESCOC1(C)CCCN(CC(O)C(C)C)C1
InChIInChI=1S/C12H25NO2/c1-10(2)11(14)8-13-7-5-6-12(3,9-13)15-4/h10-11,14H,5-9H2,1-4H3
InChIKeyXEKPVHIZZOZZJU-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine
CID 107393619
5-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-1-amine
CID 107393262
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide
CID 107394680
1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine
CID 107394421
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
4-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-3-ol
CID 114229284
2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
CID 107392603
1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 107391840
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide
CID 107394507
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
CID 107394805
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol?
The IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol (CID 107394547) is 1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol is COC1(C)CCCN(CC(O)C(C)C)C1.
What is the InChIKey of 1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol?
The InChIKey is XEKPVHIZZOZZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)11(14)8-13-7-5-6-12(3,9-13)15-4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol?
1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 107394547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).