N-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine

C12H23F3N2O — CID 55260305

IUPACN-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCOCC(F)(F)F)CC1C
InChIInChI=1S/C12H23F3N2O/c1-3-16-11-4-5-17(8-10(11)2)6-7-18-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyJHWJKDMHVRDRKN-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds6

About N-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine

N-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine (PubChem CID 55260305) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
PubChem CID55260305
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCOCC(F)(F)F)CC1C
InChIInChI=1S/C12H23F3N2O/c1-3-16-11-4-5-17(8-10(11)2)6-7-18-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyJHWJKDMHVRDRKN-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
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 N-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The IUPAC name of N-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine (CID 55260305) is N-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine is CCNC1CCN(CCOCC(F)(F)F)CC1C.
What is the InChIKey of N-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
The InChIKey is JHWJKDMHVRDRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-3-16-11-4-5-17(8-10(11)2)6-7-18-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine?
N-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 55260305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).