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

C9H16F3NO — CID 114510903

IUPAC3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol
SMILESCCC1CN(CC(F)(F)F)CCC1O
InChIInChI=1S/C9H16F3NO/c1-2-7-5-13(4-3-8(7)14)6-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyBSTIEWHWNXXJTJ-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.64
Rot. Bonds2

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

3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol (PubChem CID 114510903) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol
PubChem CID114510903
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol
SMILESCCC1CN(CC(F)(F)F)CCC1O
InChIInChI=1S/C9H16F3NO/c1-2-7-5-13(4-3-8(7)14)6-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyBSTIEWHWNXXJTJ-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol?
The IUPAC name of 3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol (CID 114510903) is 3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol?
The canonical SMILES for 3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol is CCC1CN(CC(F)(F)F)CCC1O.
What is the InChIKey of 3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol?
The InChIKey is BSTIEWHWNXXJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-7-5-13(4-3-8(7)14)6-9(10,11)12/h7-8,14H,2-6H2,1H3.
What are the key properties of 3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol?
3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol has a molecular weight of 211.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ol is sourced from PubChem (CID 114510903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).