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

C19H28F3NO — CID 164684534

IUPAC2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methylphenyl)propoxy]piperidine
SMILESCc1ccc(C(CC(F)(F)F)ON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C19H28F3NO/c1-14-7-9-15(10-8-14)16(13-19(20,21)22)24-23-17(2,3)11-6-12-18(23,4)5/h7-10,16H,6,11-13H2,1-5H3
InChIKeyAVJDWJWFIDPWER-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.96
Rot. Bonds4

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

2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methylphenyl)propoxy]piperidine (PubChem CID 164684534) 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-1-(4-methylphenyl)propoxy]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methylphenyl)propoxy]piperidine
PubChem CID164684534
Molecular FormulaC19H28F3NO
Molecular Weight343.43 g/mol
Exact Mass343.21
IUPAC Name2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methylphenyl)propoxy]piperidine
SMILESCc1ccc(C(CC(F)(F)F)ON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C19H28F3NO/c1-14-7-9-15(10-8-14)16(13-19(20,21)22)24-23-17(2,3)11-6-12-18(23,4)5/h7-10,16H,6,11-13H2,1-5H3
InChIKeyAVJDWJWFIDPWER-UHFFFAOYSA-N
XLogP5.96
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 ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methylphenyl)propoxy]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methylphenyl)propoxy]piperidine (CID 164684534) is 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methylphenyl)propoxy]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methylphenyl)propoxy]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methylphenyl)propoxy]piperidine is Cc1ccc(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-methylphenyl)propoxy]piperidine?
The InChIKey is AVJDWJWFIDPWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3NO/c1-14-7-9-15(10-8-14)16(13-19(20,21)22)24-23-17(2,3)11-6-12-18(23,4)5/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-methylphenyl)propoxy]piperidine?
2,2,6,6-tetramethyl-1-[3,3,3-trifluoro-1-(4-methylphenyl)propoxy]piperidine has a molecular weight of 343.43 g/mol, XLogP of 5.96, 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-(4-methylphenyl)propoxy]piperidine is sourced from PubChem (CID 164684534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).