N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine

C13H25F3N2O — CID 63855149

IUPACN-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine
SMILESCNC(C)C1CCCN(CCCOCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-11(17-2)12-5-3-6-18(9-12)7-4-8-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyKGHGDELRAOMYEH-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds7

About N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine

N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine (PubChem CID 63855149) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine
PubChem CID63855149
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine
SMILESCNC(C)C1CCCN(CCCOCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-11(17-2)12-5-3-6-18(9-12)7-4-8-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyKGHGDELRAOMYEH-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.28
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-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine (CID 63855149) is N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine is CNC(C)C1CCCN(CCCOCC(F)(F)F)C1.
What is the InChIKey of N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine?
The InChIKey is KGHGDELRAOMYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-11(17-2)12-5-3-6-18(9-12)7-4-8-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine?
N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine has a molecular weight of 282.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 63855149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).