N-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide

C14H19F3N2O2S — CID 13062384

IUPACN-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide
SMILESCc1cc(C)c(N2CCCCC2)cc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H19F3N2O2S/c1-10-8-11(2)13(19-6-4-3-5-7-19)9-12(10)18-22(20,21)14(15,16)17/h8-9,18H,3-7H2,1-2H3
InChIKeyBQXDFLYMWHHKMJ-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.56
Rot. Bonds3

About N-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide

N-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 13062384) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID13062384
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC NameN-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide
SMILESCc1cc(C)c(N2CCCCC2)cc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H19F3N2O2S/c1-10-8-11(2)13(19-6-4-3-5-7-19)9-12(10)18-22(20,21)14(15,16)17/h8-9,18H,3-7H2,1-2H3
InChIKeyBQXDFLYMWHHKMJ-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide (CID 13062384) is N-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide is Cc1cc(C)c(N2CCCCC2)cc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is BQXDFLYMWHHKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c1-10-8-11(2)13(19-6-4-3-5-7-19)9-12(10)18-22(20,21)14(15,16)17/h8-9,18H,3-7H2,1-2H3.
What are the key properties of N-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide?
N-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 336.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-5-piperidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 13062384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).