N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C15H21F3N2S — CID 119107084

IUPACN-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCSc1ccc(CNC2CCN(CC(F)(F)F)CC2)cc1
InChIInChI=1S/C15H21F3N2S/c1-21-14-4-2-12(3-5-14)10-19-13-6-8-20(9-7-13)11-15(16,17)18/h2-5,13,19H,6-11H2,1H3
InChIKeyWKMREMWCXDCJJY-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.52
Rot. Bonds5

About N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 119107084) has the molecular formula C15H21F3N2S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID119107084
Molecular FormulaC15H21F3N2S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCSc1ccc(CNC2CCN(CC(F)(F)F)CC2)cc1
InChIInChI=1S/C15H21F3N2S/c1-21-14-4-2-12(3-5-14)10-19-13-6-8-20(9-7-13)11-15(16,17)18/h2-5,13,19H,6-11H2,1H3
InChIKeyWKMREMWCXDCJJY-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772111
4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide
CID 119107058
N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43768782
N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine
CID 4722425
1,2-dimethyl-1-[(4-methylsulfanylphenyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111299253
2-methyl-1-[4-[(4-methylsulfanylphenyl)methylamino]piperidin-1-yl]propan-1-one
CID 43434835
2-ethyl-1-methyl-1-[(4-methylsulfanylphenyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111299254
1-(2,2,2-trifluoroethyl)-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 119107086
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61402160
N-[(3-methyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63306014
(3S)-N-[(2-methylquinolin-6-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 100642514

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 119107084) is N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CSc1ccc(CNC2CCN(CC(F)(F)F)CC2)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is WKMREMWCXDCJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2S/c1-21-14-4-2-12(3-5-14)10-19-13-6-8-20(9-7-13)11-15(16,17)18/h2-5,13,19H,6-11H2,1H3.
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 318.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 119107084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).