4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine

C21H30F3N — CID 142475097

IUPAC4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine
SMILESCC(C)(CCN1CCC(C2CCC2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H30F3N/c1-20(2,18-6-8-19(9-7-18)21(22,23)24)12-15-25-13-10-17(11-14-25)16-4-3-5-16/h6-9,16-17H,3-5,10-15H2,1-2H3
InChIKeySOQXWCBTHSVCJV-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.89
Rot. Bonds5

About 4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine

4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine (PubChem CID 142475097) has the molecular formula C21H30F3N and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine.

Molecular Properties

Compound Name4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine
PubChem CID142475097
Molecular FormulaC21H30F3N
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine
SMILESCC(C)(CCN1CCC(C2CCC2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H30F3N/c1-20(2,18-6-8-19(9-7-18)21(22,23)24)12-15-25-13-10-17(11-14-25)16-4-3-5-16/h6-9,16-17H,3-5,10-15H2,1-2H3
InChIKeySOQXWCBTHSVCJV-UHFFFAOYSA-N
XLogP5.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-chlorophenyl)-3-methylbutyl]-4-(oxan-4-yl)piperidine
CID 142475420
N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline
CID 62646483
(3aS,4R,7aS)-2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 154523475
1-[3-methyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butyl]piperidin-4-ol
CID 148748127
1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 57299449
bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride
CID 158147093
6-methyl-6-[4-(trifluoromethyl)phenyl]heptan-2-one
CID 148726811
5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
CID 142203549
[(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine
CID 98208232
2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107303497
tert-butyl (2S)-2-[[4-(trifluoromethyl)anilino]methyl]piperidine-1-carboxylate
CID 94001655
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 112630040

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine?
The IUPAC name of 4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine (CID 142475097) is 4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine.
What is the SMILES notation for 4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine?
The canonical SMILES for 4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine is CC(C)(CCN1CCC(C2CCC2)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine?
The InChIKey is SOQXWCBTHSVCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N/c1-20(2,18-6-8-19(9-7-18)21(22,23)24)12-15-25-13-10-17(11-14-25)16-4-3-5-16/h6-9,16-17H,3-5,10-15H2,1-2H3.
What are the key properties of 4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine?
4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine has a molecular weight of 353.47 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine is sourced from PubChem (CID 142475097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).