1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol

C12H25NO — CID 114495572

IUPAC1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CCCC(C)C1C
InChIInChI=1S/C12H25NO/c1-5-12(4,14)9-13-8-6-7-10(2)11(13)3/h10-11,14H,5-9H2,1-4H3
InChIKeyHVNYRHIFIAVWRR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds3

About 1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol

1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol (PubChem CID 114495572) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol
PubChem CID114495572
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CCCC(C)C1C
InChIInChI=1S/C12H25NO/c1-5-12(4,14)9-13-8-6-7-10(2)11(13)3/h10-11,14H,5-9H2,1-4H3
InChIKeyHVNYRHIFIAVWRR-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dimethylpiperidin-1-yl)-2-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

3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62272069
(2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 152872015
3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-amine
CID 62256698
1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 55068472
2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol
CID 114594601
3-(2,3-dimethylpiperidin-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62257221
3-(2,3-dimethylpiperidin-1-yl)-N,2,2-trimethylpropan-1-amine
CID 62257220
methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79621228
4-(2,3-dimethylpiperidin-1-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 66455577
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 114495321
2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 62256342
2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol
CID 104550406

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol (CID 114495572) is 1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol is CCC(C)(O)CN1CCCC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol?
The InChIKey is HVNYRHIFIAVWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-12(4,14)9-13-8-6-7-10(2)11(13)3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol?
1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 114495572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).