N-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine

C15H21F3N2S — CID 62546176

IUPACN-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine
SMILESCNC1CCCN(CCSc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H21F3N2S/c1-19-13-5-3-7-20(11-13)8-9-21-14-6-2-4-12(10-14)15(16,17)18/h2,4,6,10,13,19H,3,5,7-9,11H2,1H3
InChIKeyRQQDEQRKVUNBAN-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.48
Rot. Bonds5

About N-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine

N-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine (PubChem CID 62546176) has the molecular formula C15H21F3N2S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine
PubChem CID62546176
Molecular FormulaC15H21F3N2S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC NameN-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine
SMILESCNC1CCCN(CCSc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H21F3N2S/c1-19-13-5-3-7-20(11-13)8-9-21-14-6-2-4-12(10-14)15(16,17)18/h2,4,6,10,13,19H,3,5,7-9,11H2,1H3
InChIKeyRQQDEQRKVUNBAN-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine (CID 62546176) is N-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine is CNC1CCCN(CCSc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine?
The InChIKey is RQQDEQRKVUNBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2S/c1-19-13-5-3-7-20(11-13)8-9-21-14-6-2-4-12(10-14)15(16,17)18/h2,4,6,10,13,19H,3,5,7-9,11H2,1H3.
What are the key properties of N-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine?
N-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine has a molecular weight of 318.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-amine is sourced from PubChem (CID 62546176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).