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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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).