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

C11H20F3NO — CID 129066643

IUPAC4-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine
SMILESCC(C)C1CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-9(2)10-3-5-15(6-4-10)7-8-16-11(12,13)14/h9-10H,3-8H2,1-2H3
InChIKeyOOBCFKBPAQOEBI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.89
Rot. Bonds4

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

4-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine (PubChem CID 129066643) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine
PubChem CID129066643
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine
SMILESCC(C)C1CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-9(2)10-3-5-15(6-4-10)7-8-16-11(12,13)14/h9-10H,3-8H2,1-2H3
InChIKeyOOBCFKBPAQOEBI-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine?
The IUPAC name of 4-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine (CID 129066643) is 4-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine.
What is the SMILES notation for 4-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine?
The canonical SMILES for 4-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine is CC(C)C1CCN(CCOC(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine?
The InChIKey is OOBCFKBPAQOEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(2)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-yl-1-[2-(trifluoromethoxy)ethyl]piperidine?
4-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine has a molecular weight of 239.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine is sourced from PubChem (CID 129066643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).