3-(1,6-dimethylpiperidin-2-yl)butan-2-ol

C11H23NO — CID 20707879

IUPAC3-(1,6-dimethylpiperidin-2-yl)butan-2-ol
SMILESCC(O)C(C)C1CCCC(C)N1C
InChIInChI=1S/C11H23NO/c1-8-6-5-7-11(12(8)4)9(2)10(3)13/h8-11,13H,5-7H2,1-4H3
InChIKeyJEGBMTJUDXQFHC-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds2

About 3-(1,6-dimethylpiperidin-2-yl)butan-2-ol

3-(1,6-dimethylpiperidin-2-yl)butan-2-ol (PubChem CID 20707879) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(1,6-dimethylpiperidin-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-(1,6-dimethylpiperidin-2-yl)butan-2-ol
PubChem CID20707879
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(1,6-dimethylpiperidin-2-yl)butan-2-ol
SMILESCC(O)C(C)C1CCCC(C)N1C
InChIInChI=1S/C11H23NO/c1-8-6-5-7-11(12(8)4)9(2)10(3)13/h8-11,13H,5-7H2,1-4H3
InChIKeyJEGBMTJUDXQFHC-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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,6-dimethylpiperidin-2-yl)butan-2-ol?
The IUPAC name of 3-(1,6-dimethylpiperidin-2-yl)butan-2-ol (CID 20707879) is 3-(1,6-dimethylpiperidin-2-yl)butan-2-ol.
What is the SMILES notation for 3-(1,6-dimethylpiperidin-2-yl)butan-2-ol?
The canonical SMILES for 3-(1,6-dimethylpiperidin-2-yl)butan-2-ol is CC(O)C(C)C1CCCC(C)N1C.
What is the InChIKey of 3-(1,6-dimethylpiperidin-2-yl)butan-2-ol?
The InChIKey is JEGBMTJUDXQFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8-6-5-7-11(12(8)4)9(2)10(3)13/h8-11,13H,5-7H2,1-4H3.
What are the key properties of 3-(1,6-dimethylpiperidin-2-yl)butan-2-ol?
3-(1,6-dimethylpiperidin-2-yl)butan-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-(1,6-dimethylpiperidin-2-yl)butan-2-ol is sourced from PubChem (CID 20707879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).