3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol

C10H18F3NO2 — CID 115873533

IUPAC3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol
SMILESCC1(O)CCCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2/c1-9(15)3-2-4-14(7-9)5-6-16-8-10(11,12)13/h15H,2-8H2,1H3
InChIKeyXAVKRBWQGVYGEF-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.41
Rot. Bonds4

About 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol

3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol (PubChem CID 115873533) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol
PubChem CID115873533
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol
SMILESCC1(O)CCCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2/c1-9(15)3-2-4-14(7-9)5-6-16-8-10(11,12)13/h15H,2-8H2,1H3
InChIKeyXAVKRBWQGVYGEF-UHFFFAOYSA-N
XLogP1.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol?
The IUPAC name of 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol (CID 115873533) is 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol?
The canonical SMILES for 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol is CC1(O)CCCN(CCOCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol?
The InChIKey is XAVKRBWQGVYGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-9(15)3-2-4-14(7-9)5-6-16-8-10(11,12)13/h15H,2-8H2,1H3.
What are the key properties of 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol?
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol has a molecular weight of 241.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol is sourced from PubChem (CID 115873533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).