4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol

C8H14F3NO — CID 103898401

IUPAC4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol
SMILESCC1CCN(CC(F)(F)F)CC1O
InChIInChI=1S/C8H14F3NO/c1-6-2-3-12(4-7(6)13)5-8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyDJEFBUDRKLFHOG-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.25
Rot. Bonds1

About 4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol

4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol (PubChem CID 103898401) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol
PubChem CID103898401
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol
SMILESCC1CCN(CC(F)(F)F)CC1O
InChIInChI=1S/C8H14F3NO/c1-6-2-3-12(4-7(6)13)5-8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyDJEFBUDRKLFHOG-UHFFFAOYSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol (CID 103898401) is 4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol is CC1CCN(CC(F)(F)F)CC1O.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol?
The InChIKey is DJEFBUDRKLFHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6-2-3-12(4-7(6)13)5-8(9,10)11/h6-7,13H,2-5H2,1H3.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol?
4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol has a molecular weight of 197.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-ol is sourced from PubChem (CID 103898401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).