4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol

C12H22F3NO — CID 166726968

IUPAC4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol
SMILESCCCC(C)C1(O)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-3-4-10(2)11(17)5-7-16(8-6-11)9-12(13,14)15/h10,17H,3-9H2,1-2H3
InChIKeyWODVIVBXOOGWLL-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.81
Rot. Bonds4

About 4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol

4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol (PubChem CID 166726968) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol
PubChem CID166726968
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol
SMILESCCCC(C)C1(O)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-3-4-10(2)11(17)5-7-16(8-6-11)9-12(13,14)15/h10,17H,3-9H2,1-2H3
InChIKeyWODVIVBXOOGWLL-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol?
The IUPAC name of 4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol (CID 166726968) is 4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol.
What is the SMILES notation for 4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol?
The canonical SMILES for 4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol is CCCC(C)C1(O)CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol?
The InChIKey is WODVIVBXOOGWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-4-10(2)11(17)5-7-16(8-6-11)9-12(13,14)15/h10,17H,3-9H2,1-2H3.
What are the key properties of 4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol?
4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol has a molecular weight of 253.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol is sourced from PubChem (CID 166726968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).