1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol

C11H23NO2 — CID 130501782

IUPAC1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol
SMILESCC(C)(C)C(O)CN1CCC(O)CC1
InChIInChI=1S/C11H23NO2/c1-11(2,3)10(14)8-12-6-4-9(13)5-7-12/h9-10,13-14H,4-8H2,1-3H3
InChIKeyFOPXRHFUSNPNKX-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.85
Rot. Bonds2

About 1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol

1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol (PubChem CID 130501782) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol
PubChem CID130501782
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol
SMILESCC(C)(C)C(O)CN1CCC(O)CC1
InChIInChI=1S/C11H23NO2/c1-11(2,3)10(14)8-12-6-4-9(13)5-7-12/h9-10,13-14H,4-8H2,1-3H3
InChIKeyFOPXRHFUSNPNKX-UHFFFAOYSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
CID 146548382
3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol
CID 130679235
1-[(2R)-2-aminopropyl]piperidin-4-ol
CID 130939157
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol
CID 133108528
(1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 124873025
(1S,5S)-8-[(2S)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 124873024
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol
CID 131162882
1-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 60886320
(2R)-1-[4-(4-hydroxybutyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 97311891

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol?
The IUPAC name of 1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol (CID 130501782) is 1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol?
The canonical SMILES for 1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol is CC(C)(C)C(O)CN1CCC(O)CC1.
What is the InChIKey of 1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol?
The InChIKey is FOPXRHFUSNPNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,3)10(14)8-12-6-4-9(13)5-7-12/h9-10,13-14H,4-8H2,1-3H3.
What are the key properties of 1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol?
1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol has a molecular weight of 201.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol is sourced from PubChem (CID 130501782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).