2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine

C19H28F3NO2 — CID 162409714

IUPAC2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine
SMILESCOc1ccc(C(CC(F)(F)F)ON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C19H28F3NO2/c1-17(2)11-6-12-18(3,4)23(17)25-16(13-19(20,21)22)14-7-9-15(24-5)10-8-14/h7-10,16H,6,11-13H2,1-5H3
InChIKeySQLRQLSSQGFGOV-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.66
Rot. Bonds5

About 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine

2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine (PubChem CID 162409714) has the molecular formula C19H28F3NO2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine
PubChem CID162409714
Molecular FormulaC19H28F3NO2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine
SMILESCOc1ccc(C(CC(F)(F)F)ON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C19H28F3NO2/c1-17(2)11-6-12-18(3,4)23(17)25-16(13-19(20,21)22)14-7-9-15(24-5)10-8-14/h7-10,16H,6,11-13H2,1-5H3
InChIKeySQLRQLSSQGFGOV-UHFFFAOYSA-N
XLogP5.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-(4-(trifluoromethyl)phenoxy)propan-1-amine
CID 24947199
cis-erythro-1-(2-(p,alpha-Dimethoxybenzyl)cyclohexyl)piperidine
CID 31727
Piperidine, 1-(2-(p,alpha-dimethoxybenzyl)cyclohexyl)-, trans-erythro-
CID 203059
1-[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine
CID 168305528
3-(4-Methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanenitrile
CID 101430935
2-(4-Methoxybenzyl)-4-(4,4,4-trifluorobutyl)morpholine
CID 50962229
2,2,6,6-Tetramethyl-4-[4-(trifluoromethyl)phenoxy]piperidine
CID 11609136
1-Methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine
CID 18722975
1-Methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine
CID 18722987
1-(1-Methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine
CID 21334073
1-Methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 59726172
1-Methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine
CID 59726214

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine (CID 162409714) is 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine is COc1ccc(C(CC(F)(F)F)ON2C(C)(C)CCCC2(C)C)cc1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine?
The InChIKey is SQLRQLSSQGFGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3NO2/c1-17(2)11-6-12-18(3,4)23(17)25-16(13-19(20,21)22)14-7-9-15(24-5)10-8-14/h7-10,16H,6,11-13H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine?
2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine has a molecular weight of 359.43 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine is sourced from PubChem (CID 162409714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).