2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine

C10H19F3N2O — CID 83021013

IUPAC2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine
SMILESCC1CCCC(C)N1NCCOC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-8-4-3-5-9(2)15(8)14-6-7-16-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyKUYHEOKXUAJFRU-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.29
Rot. Bonds4

About 2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine

2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine (PubChem CID 83021013) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine
PubChem CID83021013
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine
SMILESCC1CCCC(C)N1NCCOC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-8-4-3-5-9(2)15(8)14-6-7-16-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyKUYHEOKXUAJFRU-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine (CID 83021013) is 2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine is CC1CCCC(C)N1NCCOC(F)(F)F.
What is the InChIKey of 2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine?
The InChIKey is KUYHEOKXUAJFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-8-4-3-5-9(2)15(8)14-6-7-16-10(11,12)13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine?
2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine has a molecular weight of 240.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine is sourced from PubChem (CID 83021013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).