cyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone

C18H22F3NO — CID 46704722

IUPACcyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H22F3NO/c19-18(20,21)16-6-4-13(5-7-16)12-14-8-10-22(11-9-14)17(23)15-2-1-3-15/h4-7,14-15H,1-3,8-12H2
InChIKeyHLVBNIRTUXSCKL-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.29
Rot. Bonds3

About cyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone

cyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone (PubChem CID 46704722) has the molecular formula C18H22F3NO and a molecular weight of 325.37 g/mol. Its IUPAC name is cyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
PubChem CID46704722
Molecular FormulaC18H22F3NO
Molecular Weight325.37 g/mol
Exact Mass325.17
IUPAC Namecyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H22F3NO/c19-18(20,21)16-6-4-13(5-7-16)12-14-8-10-22(11-9-14)17(23)15-2-1-3-15/h4-7,14-15H,1-3,8-12H2
InChIKeyHLVBNIRTUXSCKL-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone (CID 46704722) is cyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of cyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
The InChIKey is HLVBNIRTUXSCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO/c19-18(20,21)16-6-4-13(5-7-16)12-14-8-10-22(11-9-14)17(23)15-2-1-3-15/h4-7,14-15H,1-3,8-12H2.
What are the key properties of cyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
cyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone has a molecular weight of 325.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46704722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).