N-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine

C16H23F3N2O2S — CID 23723245

IUPACN-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine
SMILESCN(CCc1ccccc1)C1CCCN(S(=O)(=O)CC(F)(F)F)C1
InChIInChI=1S/C16H23F3N2O2S/c1-20(11-9-14-6-3-2-4-7-14)15-8-5-10-21(12-15)24(22,23)13-16(17,18)19/h2-4,6-7,15H,5,8-13H2,1H3
InChIKeyJFTFVUCMFSVJDT-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.52
Rot. Bonds6

About N-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine

N-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine (PubChem CID 23723245) has the molecular formula C16H23F3N2O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine
PubChem CID23723245
Molecular FormulaC16H23F3N2O2S
Molecular Weight364.43 g/mol
Exact Mass364.14
IUPAC NameN-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine
SMILESCN(CCc1ccccc1)C1CCCN(S(=O)(=O)CC(F)(F)F)C1
InChIInChI=1S/C16H23F3N2O2S/c1-20(11-9-14-6-3-2-4-7-14)15-8-5-10-21(12-15)24(22,23)13-16(17,18)19/h2-4,6-7,15H,5,8-13H2,1H3
InChIKeyJFTFVUCMFSVJDT-UHFFFAOYSA-N
XLogP2.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenylmethanesulfonyl-piperidine
CID 273955
2-(2-Phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51360667
1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine
CID 787181
1-Benzylsulfonyl-4-ethylpiperazine
CID 645383
1-Benzyl-4-(benzylsulfonyl)piperazine
CID 669283
1-(4-Methyl-cyclohexyl)-4-phenylmethanesulfonyl-piperazine
CID 1151775
1-Benzhydryl-4-[2-(trifluoromethylsulfonyl)ethyl]piperazine
CID 2324329
1-Ethylsulfonyl-4-(4-phenylbutan-2-yl)piperazine
CID 2902684
1-[(3,4-Difluorophenyl)sulfonyl]-4-(2-phenylethyl)piperazine
CID 6465550
N-methyl-N-(3-methylbutyl)-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidin-4-amine
CID 6602880
1-(2-Fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 6736975
1-Benzylsulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443040

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine?
The IUPAC name of N-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine (CID 23723245) is N-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine is CN(CCc1ccccc1)C1CCCN(S(=O)(=O)CC(F)(F)F)C1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine?
The InChIKey is JFTFVUCMFSVJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2S/c1-20(11-9-14-6-3-2-4-7-14)15-8-5-10-21(12-15)24(22,23)13-16(17,18)19/h2-4,6-7,15H,5,8-13H2,1H3.
What are the key properties of N-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine?
N-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine has a molecular weight of 364.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-amine is sourced from PubChem (CID 23723245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).