2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine

C16H22F3NO — CID 11609136

IUPAC2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine
SMILESCC1(C)CC(Oc2ccc(C(F)(F)F)cc2)CC(C)(C)N1
InChIInChI=1S/C16H22F3NO/c1-14(2)9-13(10-15(3,4)20-14)21-12-7-5-11(6-8-12)16(17,18)19/h5-8,13,20H,9-10H2,1-4H3
InChIKeyIURBEPNJIZNFTI-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.39
Rot. Bonds2

About 2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine

2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine (PubChem CID 11609136) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine
PubChem CID11609136
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine
SMILESCC1(C)CC(Oc2ccc(C(F)(F)F)cc2)CC(C)(C)N1
InChIInChI=1S/C16H22F3NO/c1-14(2)9-13(10-15(3,4)20-14)21-12-7-5-11(6-8-12)16(17,18)19/h5-8,13,20H,9-10H2,1-4H3
InChIKeyIURBEPNJIZNFTI-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine (CID 11609136) is 2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine is CC1(C)CC(Oc2ccc(C(F)(F)F)cc2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine?
The InChIKey is IURBEPNJIZNFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-14(2)9-13(10-15(3,4)20-14)21-12-7-5-11(6-8-12)16(17,18)19/h5-8,13,20H,9-10H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine?
2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine has a molecular weight of 301.35 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine is sourced from PubChem (CID 11609136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).