2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine

C20H30F3NO — CID 162407077

IUPAC2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine
SMILESCC1(C)CCCC(C)(C)N1OC(CCc1ccccc1)CC(F)(F)F
InChIInChI=1S/C20H30F3NO/c1-18(2)13-8-14-19(3,4)24(18)25-17(15-20(21,22)23)12-11-16-9-6-5-7-10-16/h5-7,9-10,17H,8,11-15H2,1-4H3
InChIKeyRCPDWCBQMBANCX-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.91
Rot. Bonds6

About 2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine

2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine (PubChem CID 162407077) has the molecular formula C20H30F3NO and a molecular weight of 357.46 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine
PubChem CID162407077
Molecular FormulaC20H30F3NO
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine
SMILESCC1(C)CCCC(C)(C)N1OC(CCc1ccccc1)CC(F)(F)F
InChIInChI=1S/C20H30F3NO/c1-18(2)13-8-14-19(3,4)24(18)25-17(15-20(21,22)23)12-11-16-9-6-5-7-10-16/h5-7,9-10,17H,8,11-15H2,1-4H3
InChIKeyRCPDWCBQMBANCX-UHFFFAOYSA-N
XLogP5.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,6,6-Tetramethyl-1-(1-phenylethoxy)piperidine
CID 4172562
1-(Benzyloxy)-2,2,6,6-tetramethylpiperidine
CID 14894915
2,2,6,6-Tetramethyl-1-(3-phenylpropoxy)piperidine
CID 140397227
2,2,6,6-Tetramethyl-1-(3,3,3-trifluoro-1-phenylpropoxy)piperidine
CID 146169320
1-[Difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine
CID 162403663
2,2,6,6-Tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine
CID 162407080
2,2,6,6-Tetramethyl-1-[3,3,3-trifluoro-1-(4-methylphenyl)propoxy]piperidine
CID 164684534
2,2,6,6-Tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)piperidine
CID 164684959
2,2,6,6-tetramethyl-1-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]oxypiperidine
CID 168336077
2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine
CID 11482708
2,2,6,6-Tetramethyl-1-[(1-phenylhex-5-EN-1-YL)oxy]piperidine
CID 15519061
2,2,6,6-Tetramethyl-1-(3-phenylcyclohexyl)oxypiperidine
CID 85772574

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine (CID 162407077) is 2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine is CC1(C)CCCC(C)(C)N1OC(CCc1ccccc1)CC(F)(F)F.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine?
The InChIKey is RCPDWCBQMBANCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3NO/c1-18(2)13-8-14-19(3,4)24(18)25-17(15-20(21,22)23)12-11-16-9-6-5-7-10-16/h5-7,9-10,17H,8,11-15H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine?
2,2,6,6-tetramethyl-1-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine has a molecular weight of 357.46 g/mol, XLogP of 5.91, 6 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-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine is sourced from PubChem (CID 162407077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).