2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine

C11H20F3NO2 — CID 55030936

IUPAC2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine
SMILESCC1CCC(OCCCOCC(F)(F)F)CN1
InChIInChI=1S/C11H20F3NO2/c1-9-3-4-10(7-15-9)17-6-2-5-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyKJOHFIKNPVPPKF-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.11
Rot. Bonds6

About 2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine

2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine (PubChem CID 55030936) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine.

Molecular Properties

Compound Name2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine
PubChem CID55030936
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine
SMILESCC1CCC(OCCCOCC(F)(F)F)CN1
InChIInChI=1S/C11H20F3NO2/c1-9-3-4-10(7-15-9)17-6-2-5-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyKJOHFIKNPVPPKF-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine 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 2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine?
The IUPAC name of 2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine (CID 55030936) is 2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine.
What is the SMILES notation for 2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine?
The canonical SMILES for 2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine is CC1CCC(OCCCOCC(F)(F)F)CN1.
What is the InChIKey of 2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine?
The InChIKey is KJOHFIKNPVPPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-9-3-4-10(7-15-9)17-6-2-5-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of 2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine?
2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine has a molecular weight of 255.28 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(2,2,2-trifluoroethoxy)propoxy]piperidine is sourced from PubChem (CID 55030936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).