3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine

C12H23F3N2S — CID 106429796

IUPAC3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCCCNC1CCN(CCSC(F)(F)F)CC1C
InChIInChI=1S/C12H23F3N2S/c1-3-5-16-11-4-6-17(9-10(11)2)7-8-18-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyCHPUVFYPCVGRMP-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.95
Rot. Bonds6

About 3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine

3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (PubChem CID 106429796) has the molecular formula C12H23F3N2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
PubChem CID106429796
Molecular FormulaC12H23F3N2S
Molecular Weight284.39 g/mol
Exact Mass284.15
IUPAC Name3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCCCNC1CCN(CCSC(F)(F)F)CC1C
InChIInChI=1S/C12H23F3N2S/c1-3-5-16-11-4-6-17(9-10(11)2)7-8-18-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyCHPUVFYPCVGRMP-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 134514969
1-[4-(2,2,2-Trifluoroethylamino)piperidin-1-yl]ethanethiol
CID 138626116
1-[(4S)-3,3-difluoro-4-(methylamino)piperidin-1-yl]ethanethiol
CID 156418561
(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 166682652
N-[1-fluoro-2-(1-iodoethenylsulfanyl)ethyl]-3,5-dimethylpiperidin-4-amine
CID 169633560
5-Methyl-2-(trifluoromethylsulfanyl)piperidine;propane
CID 176942168
Ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine
CID 176942308
2-(1,1-Difluoroethyl)-5-methyl-3-methylsulfanylpiperidine
CID 176942873
3-Fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane
CID 176943216
(4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen
CID 176945957
N-ethyl-3,3-difluoro-1,5-dimethylpiperidin-4-amine
CID 176946025
N-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43775769

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The IUPAC name of 3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (CID 106429796) is 3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The canonical SMILES for 3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is CCCNC1CCN(CCSC(F)(F)F)CC1C.
What is the InChIKey of 3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The InChIKey is CHPUVFYPCVGRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2S/c1-3-5-16-11-4-6-17(9-10(11)2)7-8-18-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine has a molecular weight of 284.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 106429796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).