1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol

C12H25NO2 — CID 114495321

IUPAC1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CCCCC1CCO
InChIInChI=1S/C12H25NO2/c1-3-12(2,15)10-13-8-5-4-6-11(13)7-9-14/h11,14-15H,3-10H2,1-2H3
InChIKeyLIVAZRGLKWNIKJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.38
Rot. Bonds5

About 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol

1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol (PubChem CID 114495321) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
PubChem CID114495321
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CCCCC1CCO
InChIInChI=1S/C12H25NO2/c1-3-12(2,15)10-13-8-5-4-6-11(13)7-9-14/h11,14-15H,3-10H2,1-2H3
InChIKeyLIVAZRGLKWNIKJ-UHFFFAOYSA-N
XLogP1.38
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol
CID 114496491
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270202
2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol
CID 62262685
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 62276374
4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79361314
2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol
CID 66454911
2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]piperidin-2-yl]ethanol
CID 55051425
methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropanoate
CID 79624536
2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol
CID 62261558
2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol
CID 66038303
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol (CID 114495321) is 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol is CCC(C)(O)CN1CCCCC1CCO.
What is the InChIKey of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol?
The InChIKey is LIVAZRGLKWNIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-12(2,15)10-13-8-5-4-6-11(13)7-9-14/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol?
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 114495321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).