3,3-dimethyl-1-piperidin-1-ylbutan-2-ol

C11H23NO — CID 11435366

IUPAC3,3-dimethyl-1-piperidin-1-ylbutan-2-ol
SMILESCC(C)(C)C(O)CN1CCCCC1
InChIInChI=1S/C11H23NO/c1-11(2,3)10(13)9-12-7-5-4-6-8-12/h10,13H,4-9H2,1-3H3
InChIKeyOOTYBPZITJJUIF-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds2

About 3,3-dimethyl-1-piperidin-1-ylbutan-2-ol

3,3-dimethyl-1-piperidin-1-ylbutan-2-ol (PubChem CID 11435366) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-piperidin-1-ylbutan-2-ol
PubChem CID11435366
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3,3-dimethyl-1-piperidin-1-ylbutan-2-ol
SMILESCC(C)(C)C(O)CN1CCCCC1
InChIInChI=1S/C11H23NO/c1-11(2,3)10(13)9-12-7-5-4-6-8-12/h10,13H,4-9H2,1-3H3
InChIKeyOOTYBPZITJJUIF-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-1-piperidin-1-ylbutan-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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-piperidin-1-ylbutan-2-ol?
The IUPAC name of 3,3-dimethyl-1-piperidin-1-ylbutan-2-ol (CID 11435366) is 3,3-dimethyl-1-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-piperidin-1-ylbutan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-piperidin-1-ylbutan-2-ol is CC(C)(C)C(O)CN1CCCCC1.
What is the InChIKey of 3,3-dimethyl-1-piperidin-1-ylbutan-2-ol?
The InChIKey is OOTYBPZITJJUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)10(13)9-12-7-5-4-6-8-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-piperidin-1-ylbutan-2-ol?
3,3-dimethyl-1-piperidin-1-ylbutan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 11435366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).