N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H23F3N2S — CID 63981310

IUPACN-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCSCC(C)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2S/c1-10(8-18-2)7-16-11-3-5-17(6-4-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyUTXSPDJEFVRIQJ-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.60
Rot. Bonds6

About N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 63981310) has the molecular formula C12H23F3N2S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID63981310
Molecular FormulaC12H23F3N2S
Molecular Weight284.39 g/mol
Exact Mass284.15
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCSCC(C)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2S/c1-10(8-18-2)7-16-11-3-5-17(6-4-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyUTXSPDJEFVRIQJ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 62693274
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687
N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43769154
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345
2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol
CID 66178563
N-(3-methylsulfinylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115901511
4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 103788940
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61207184
N-(2-methyl-3-methylsulfanylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091044
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 119107084

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 63981310) is N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CSCC(C)CNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is UTXSPDJEFVRIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2S/c1-10(8-18-2)7-16-11-3-5-17(6-4-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 284.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 63981310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).