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

C13H25F3N2S — CID 106429794

IUPAC2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCCCNC1CCN(CCSC(F)(F)F)C(C)C1C
InChIInChI=1S/C13H25F3N2S/c1-4-6-17-12-5-7-18(11(3)10(12)2)8-9-19-13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyVDYSQBLZHHOODE-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.34
Rot. Bonds6

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

2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (PubChem CID 106429794) has the molecular formula C13H25F3N2S and a molecular weight of 298.42 g/mol. Its IUPAC name is 2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
PubChem CID106429794
Molecular FormulaC13H25F3N2S
Molecular Weight298.42 g/mol
Exact Mass298.17
IUPAC Name2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCCCNC1CCN(CCSC(F)(F)F)C(C)C1C
InChIInChI=1S/C13H25F3N2S/c1-4-6-17-12-5-7-18(11(3)10(12)2)8-9-19-13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyVDYSQBLZHHOODE-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The IUPAC name of 2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (CID 106429794) is 2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is CCCNC1CCN(CCSC(F)(F)F)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The InChIKey is VDYSQBLZHHOODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2S/c1-4-6-17-12-5-7-18(11(3)10(12)2)8-9-19-13(14,15)16/h10-12,17H,4-9H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine has a molecular weight of 298.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 106429794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).