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

C10H17ClF3NO — CID 114682319

IUPAC4-chloro-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESCC1CN(CCOCC(F)(F)F)CCC1Cl
InChIInChI=1S/C10H17ClF3NO/c1-8-6-15(3-2-9(8)11)4-5-16-7-10(12,13)14/h8-9H,2-7H2,1H3
InChIKeyHJVZFSSOYKBUAI-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.51
Rot. Bonds4

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

4-chloro-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (PubChem CID 114682319) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
PubChem CID114682319
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC Name4-chloro-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESCC1CN(CCOCC(F)(F)F)CCC1Cl
InChIInChI=1S/C10H17ClF3NO/c1-8-6-15(3-2-9(8)11)4-5-16-7-10(12,13)14/h8-9H,2-7H2,1H3
InChIKeyHJVZFSSOYKBUAI-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 4-chloro-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The IUPAC name of 4-chloro-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (CID 114682319) is 4-chloro-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.
What is the SMILES notation for 4-chloro-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The canonical SMILES for 4-chloro-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is CC1CN(CCOCC(F)(F)F)CCC1Cl.
What is the InChIKey of 4-chloro-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The InChIKey is HJVZFSSOYKBUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c1-8-6-15(3-2-9(8)11)4-5-16-7-10(12,13)14/h8-9H,2-7H2,1H3.
What are the key properties of 4-chloro-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
4-chloro-3-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 4-chloro-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is sourced from PubChem (CID 114682319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).