4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine

C15H20F3NO — CID 143640188

IUPAC4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine
SMILESCC(C)c1cc(OC2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-10(2)11-7-12(15(16,17)18)9-14(8-11)20-13-3-5-19-6-4-13/h7-10,13,19H,3-6H2,1-2H3
InChIKeyCZWRHEMEWQMRAO-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.96
Rot. Bonds3

About 4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine

4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine (PubChem CID 143640188) has the molecular formula C15H20F3NO and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine.

Molecular Properties

Compound Name4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine
PubChem CID143640188
Molecular FormulaC15H20F3NO
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine
SMILESCC(C)c1cc(OC2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-10(2)11-7-12(15(16,17)18)9-14(8-11)20-13-3-5-19-6-4-13/h7-10,13,19H,3-6H2,1-2H3
InChIKeyCZWRHEMEWQMRAO-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine?
The IUPAC name of 4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine (CID 143640188) is 4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine.
What is the SMILES notation for 4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine?
The canonical SMILES for 4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine is CC(C)c1cc(OC2CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine?
The InChIKey is CZWRHEMEWQMRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10(2)11-7-12(15(16,17)18)9-14(8-11)20-13-3-5-19-6-4-13/h7-10,13,19H,3-6H2,1-2H3.
What are the key properties of 4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine?
4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine has a molecular weight of 287.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-propan-2-yl-5-(trifluoromethyl)phenoxy]piperidine is sourced from PubChem (CID 143640188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).