4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol

C12H25NO2 — CID 79361314

IUPAC4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCCCC1CCO
InChIInChI=1S/C12H25NO2/c1-12(2,15)7-9-13-8-4-3-5-11(13)6-10-14/h11,14-15H,3-10H2,1-2H3
InChIKeyGVDKBXLKJDNLBE-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.38
Rot. Bonds5

About 4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol

4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol (PubChem CID 79361314) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
PubChem CID79361314
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCCCC1CCO
InChIInChI=1S/C12H25NO2/c1-12(2,15)7-9-13-8-4-3-5-11(13)6-10-14/h11,14-15H,3-10H2,1-2H3
InChIKeyGVDKBXLKJDNLBE-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

4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 114338264
2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol
CID 79355209
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 114495321
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270202
2-methyl-4-[2-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79355208
6-[2-(2-hydroxyethyl)piperidin-1-yl]hexan-1-ol
CID 103737919
2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol
CID 114448957
2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol
CID 115316873
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol
CID 66454911
N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
CID 106710704

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol (CID 79361314) is 4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol is CC(C)(O)CCN1CCCCC1CCO.
What is the InChIKey of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol?
The InChIKey is GVDKBXLKJDNLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,15)7-9-13-8-4-3-5-11(13)6-10-14/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol?
4-[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 4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 79361314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).