4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine

C11H20F3NO2 — CID 146641759

IUPAC4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine
SMILESCC(C)OC1CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2/c1-9(2)17-10-3-5-15(6-4-10)7-8-16-11(12,13)14/h9-10H,3-8H2,1-2H3
InChIKeyNCWDMBQLCANDLT-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.41
Rot. Bonds5

About 4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine

4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine (PubChem CID 146641759) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine
PubChem CID146641759
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine
SMILESCC(C)OC1CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2/c1-9(2)17-10-3-5-15(6-4-10)7-8-16-11(12,13)14/h9-10H,3-8H2,1-2H3
InChIKeyNCWDMBQLCANDLT-UHFFFAOYSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine?
The IUPAC name of 4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine (CID 146641759) is 4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine.
What is the SMILES notation for 4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine?
The canonical SMILES for 4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine is CC(C)OC1CCN(CCOC(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine?
The InChIKey is NCWDMBQLCANDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-9(2)17-10-3-5-15(6-4-10)7-8-16-11(12,13)14/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine?
4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine has a molecular weight of 255.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-[2-(trifluoromethoxy)ethyl]piperidine is sourced from PubChem (CID 146641759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).