3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

C10H17ClF3NO — CID 102959886

IUPAC3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESCC1CCN(CCOCC(F)(F)F)CC1Cl
InChIInChI=1S/C10H17ClF3NO/c1-8-2-3-15(6-9(8)11)4-5-16-7-10(12,13)14/h8-9H,2-7H2,1H3
InChIKeySUPPIZBTTKZQNZ-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.51
Rot. Bonds4

About 3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (PubChem CID 102959886) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
PubChem CID102959886
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC Name3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESCC1CCN(CCOCC(F)(F)F)CC1Cl
InChIInChI=1S/C10H17ClF3NO/c1-8-2-3-15(6-9(8)11)4-5-16-7-10(12,13)14/h8-9H,2-7H2,1H3
InChIKeySUPPIZBTTKZQNZ-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The IUPAC name of 3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (CID 102959886) is 3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.
What is the SMILES notation for 3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The canonical SMILES for 3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is CC1CCN(CCOCC(F)(F)F)CC1Cl.
What is the InChIKey of 3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The InChIKey is SUPPIZBTTKZQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c1-8-2-3-15(6-9(8)11)4-5-16-7-10(12,13)14/h8-9H,2-7H2,1H3.
What are the key properties of 3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine has a molecular weight of 259.70 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is sourced from PubChem (CID 102959886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).