3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine

C9H17F3N2O — CID 79867474

IUPAC3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine
SMILESCC1CN(CCOC(F)(F)F)CCC1N
InChIInChI=1S/C9H17F3N2O/c1-7-6-14(3-2-8(7)13)4-5-15-9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyNOZZQJZDTRHMAR-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.19
Rot. Bonds3

About 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine

3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine (PubChem CID 79867474) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine
PubChem CID79867474
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine
SMILESCC1CN(CCOC(F)(F)F)CCC1N
InChIInChI=1S/C9H17F3N2O/c1-7-6-14(3-2-8(7)13)4-5-15-9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyNOZZQJZDTRHMAR-UHFFFAOYSA-N
XLogP1.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine?
The IUPAC name of 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine (CID 79867474) is 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine?
The canonical SMILES for 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine is CC1CN(CCOC(F)(F)F)CCC1N.
What is the InChIKey of 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine?
The InChIKey is NOZZQJZDTRHMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7-6-14(3-2-8(7)13)4-5-15-9(10,11)12/h7-8H,2-6,13H2,1H3.
What are the key properties of 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine?
3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine has a molecular weight of 226.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 79867474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).