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

C19H28F3NO — CID 164684959

IUPAC2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)piperidine
SMILESCC(C(ON1C(C)(C)CCCC1(C)C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H28F3NO/c1-14(19(20,21)22)16(15-10-7-6-8-11-15)24-23-17(2,3)12-9-13-18(23,4)5/h6-8,10-11,14,16H,9,12-13H2,1-5H3
InChIKeyDDEXKVDXNIKYFB-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.90
Rot. Bonds4

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

2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)piperidine (PubChem CID 164684959) has the molecular formula C19H28F3NO and a molecular weight of 343.43 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)piperidine
PubChem CID164684959
Molecular FormulaC19H28F3NO
Molecular Weight343.43 g/mol
Exact Mass343.21
IUPAC Name2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)piperidine
SMILESCC(C(ON1C(C)(C)CCCC1(C)C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H28F3NO/c1-14(19(20,21)22)16(15-10-7-6-8-11-15)24-23-17(2,3)12-9-13-18(23,4)5/h6-8,10-11,14,16H,9,12-13H2,1-5H3
InChIKeyDDEXKVDXNIKYFB-UHFFFAOYSA-N
XLogP5.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)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

2,2,6,6-Tetramethyl-1-(1-phenylethoxy)piperidine
CID 4172562
Benzeneethanamine, N-ethyl-alpha-methyl-N-(phenylmethoxy)-3-(trifluoromethyl)-
CID 13394778
2,6-Diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one
CID 22341848
1-Hydroxy-2-phenyl-2-(2',2',6',6'-tetramethyl-1-piperidinyloxy)ethane
CID 10978762
1-(Benzyloxy)-2,2,6,6-tetramethylpiperidine
CID 14894915
2,2,6,6-Tetramethyl-1-(3-phenylpropoxy)piperidine
CID 140397227
1-[1-(4-Bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine
CID 66554225
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-(1,1,1-trifluoro-5-phenylpentan-3-yl)oxypiperidine
CID 162407077
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

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)piperidine (CID 164684959) is 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)piperidine is CC(C(ON1C(C)(C)CCCC1(C)C)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)piperidine?
The InChIKey is DDEXKVDXNIKYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3NO/c1-14(19(20,21)22)16(15-10-7-6-8-11-15)24-23-17(2,3)12-9-13-18(23,4)5/h6-8,10-11,14,16H,9,12-13H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)piperidine?
2,2,6,6-tetramethyl-1-(3,3,3-trifluoro-2-methyl-1-phenylpropoxy)piperidine has a molecular weight of 343.43 g/mol, XLogP of 5.90, 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-2-methyl-1-phenylpropoxy)piperidine is sourced from PubChem (CID 164684959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).