2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine

C9H17F3N2 — CID 83014714

IUPAC2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine
SMILESCC1CCCC(C)N1NCC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-7-4-3-5-8(2)14(7)13-6-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyYLPSNWCGXSYLIN-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.32
Rot. Bonds2

About 2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine

2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine (PubChem CID 83014714) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine
PubChem CID83014714
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine
SMILESCC1CCCC(C)N1NCC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-7-4-3-5-8(2)14(7)13-6-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyYLPSNWCGXSYLIN-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine (CID 83014714) is 2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine is CC1CCCC(C)N1NCC(F)(F)F.
What is the InChIKey of 2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine?
The InChIKey is YLPSNWCGXSYLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-7-4-3-5-8(2)14(7)13-6-9(10,11)12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine?
2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine has a molecular weight of 210.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-1-amine is sourced from PubChem (CID 83014714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).