N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide

C16H23F3N2O2S — CID 126804629

IUPACN-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide
SMILESCC(c1ccc(C(F)(F)F)cc1)N1CCC(CNS(C)(=O)=O)CC1
InChIInChI=1S/C16H23F3N2O2S/c1-12(14-3-5-15(6-4-14)16(17,18)19)21-9-7-13(8-10-21)11-20-24(2,22)23/h3-6,12-13,20H,7-11H2,1-2H3
InChIKeyMXAKPNXARDTXGC-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.03
Rot. Bonds5

About N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide

N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 126804629) has the molecular formula C16H23F3N2O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide
PubChem CID126804629
Molecular FormulaC16H23F3N2O2S
Molecular Weight364.43 g/mol
Exact Mass364.14
IUPAC NameN-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide
SMILESCC(c1ccc(C(F)(F)F)cc1)N1CCC(CNS(C)(=O)=O)CC1
InChIInChI=1S/C16H23F3N2O2S/c1-12(14-3-5-15(6-4-14)16(17,18)19)21-9-7-13(8-10-21)11-20-24(2,22)23/h3-6,12-13,20H,7-11H2,1-2H3
InChIKeyMXAKPNXARDTXGC-UHFFFAOYSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 86887618
N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide
CID 155344343
N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838903
N-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119978068
1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one
CID 95159594
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
methyl 4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxylate
CID 71786831
(5S)-3-bromo-5-[1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-4,5-dihydro-1,2-oxazole
CID 155344236
N-[[(3R)-1-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838899
1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 55175672
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine
CID 63250634

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide (CID 126804629) is N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide is CC(c1ccc(C(F)(F)F)cc1)N1CCC(CNS(C)(=O)=O)CC1.
What is the InChIKey of N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is MXAKPNXARDTXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2S/c1-12(14-3-5-15(6-4-14)16(17,18)19)21-9-7-13(8-10-21)11-20-24(2,22)23/h3-6,12-13,20H,7-11H2,1-2H3.
What are the key properties of N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide?
N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 126804629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).