1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine

C12H23F3N2O — CID 55259527

IUPAC1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
SMILESCC1CN(C)C(C)CC1NCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-9-7-17(3)10(2)6-11(9)16-4-5-18-8-12(13,14)15/h9-11,16H,4-8H2,1-3H3
InChIKeyXNEVSUBKYNMXEJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.88
Rot. Bonds5

About 1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine

1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine (PubChem CID 55259527) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
PubChem CID55259527
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
SMILESCC1CN(C)C(C)CC1NCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-9-7-17(3)10(2)6-11(9)16-4-5-18-8-12(13,14)15/h9-11,16H,4-8H2,1-3H3
InChIKeyXNEVSUBKYNMXEJ-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.88
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 1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine (CID 55259527) is 1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine is CC1CN(C)C(C)CC1NCCOCC(F)(F)F.
What is the InChIKey of 1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The InChIKey is XNEVSUBKYNMXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-9-7-17(3)10(2)6-11(9)16-4-5-18-8-12(13,14)15/h9-11,16H,4-8H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 55259527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).