1-tert-butyl-2,5-dimethylpiperidin-4-ol

C11H23NO — CID 598385

IUPAC1-tert-butyl-2,5-dimethylpiperidin-4-ol
SMILESCC1CN(C(C)(C)C)C(C)CC1O
InChIInChI=1S/C11H23NO/c1-8-7-12(11(3,4)5)9(2)6-10(8)13/h8-10,13H,6-7H2,1-5H3
InChIKeyIXHUROFFHFTCHR-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds

About 1-tert-butyl-2,5-dimethylpiperidin-4-ol

1-tert-butyl-2,5-dimethylpiperidin-4-ol (PubChem CID 598385) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-tert-butyl-2,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name1-tert-butyl-2,5-dimethylpiperidin-4-ol
PubChem CID598385
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-tert-butyl-2,5-dimethylpiperidin-4-ol
SMILESCC1CN(C(C)(C)C)C(C)CC1O
InChIInChI=1S/C11H23NO/c1-8-7-12(11(3,4)5)9(2)6-10(8)13/h8-10,13H,6-7H2,1-5H3
InChIKeyIXHUROFFHFTCHR-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 1-tert-butyl-2,5-dimethylpiperidin-4-ol?
The IUPAC name of 1-tert-butyl-2,5-dimethylpiperidin-4-ol (CID 598385) is 1-tert-butyl-2,5-dimethylpiperidin-4-ol.
What is the SMILES notation for 1-tert-butyl-2,5-dimethylpiperidin-4-ol?
The canonical SMILES for 1-tert-butyl-2,5-dimethylpiperidin-4-ol is CC1CN(C(C)(C)C)C(C)CC1O.
What is the InChIKey of 1-tert-butyl-2,5-dimethylpiperidin-4-ol?
The InChIKey is IXHUROFFHFTCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8-7-12(11(3,4)5)9(2)6-10(8)13/h8-10,13H,6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-2,5-dimethylpiperidin-4-ol?
1-tert-butyl-2,5-dimethylpiperidin-4-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 598385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).