2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine

C18H26F3NO — CID 146169320

IUPAC2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine
SMILESCC1(C)CCCC(C)(C)N1OC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C18H26F3NO/c1-16(2)11-8-12-17(3,4)22(16)23-15(13-18(19,20)21)14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3
InChIKeyKIJAHFPJGBWGOS-UHFFFAOYSA-N
MW329.41 g/mol
LogP5.65
Rot. Bonds4

About 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine

2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine (PubChem CID 146169320) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine
PubChem CID146169320
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine
SMILESCC1(C)CCCC(C)(C)N1OC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C18H26F3NO/c1-16(2)11-8-12-17(3,4)22(16)23-15(13-18(19,20)21)14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3
InChIKeyKIJAHFPJGBWGOS-UHFFFAOYSA-N
XLogP5.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.41
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine (CID 146169320) is 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine is CC1(C)CCCC(C)(C)N1OC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine?
The InChIKey is KIJAHFPJGBWGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO/c1-16(2)11-8-12-17(3,4)22(16)23-15(13-18(19,20)21)14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine?
2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine has a molecular weight of 329.41 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine is sourced from PubChem (CID 146169320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).