[4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine

C13H25F3N2O — CID 103353175

IUPAC[4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
SMILESCCC1CCN(CCCOCC(F)(F)F)C(CN)C1
InChIInChI=1S/C13H25F3N2O/c1-2-11-4-6-18(12(8-11)9-17)5-3-7-19-10-13(14,15)16/h11-12H,2-10,17H2,1H3
InChIKeyPRAMBJOJSVKOFY-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.40
Rot. Bonds7

About [4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine

[4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine (PubChem CID 103353175) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is [4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
PubChem CID103353175
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name[4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
SMILESCCC1CCN(CCCOCC(F)(F)F)C(CN)C1
InChIInChI=1S/C13H25F3N2O/c1-2-11-4-6-18(12(8-11)9-17)5-3-7-19-10-13(14,15)16/h11-12H,2-10,17H2,1H3
InChIKeyPRAMBJOJSVKOFY-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 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 ≤ 52.40
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 [4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine (CID 103353175) is [4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine is CCC1CCN(CCCOCC(F)(F)F)C(CN)C1.
What is the InChIKey of [4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
The InChIKey is PRAMBJOJSVKOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-2-11-4-6-18(12(8-11)9-17)5-3-7-19-10-13(14,15)16/h11-12H,2-10,17H2,1H3.
What are the key properties of [4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
[4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine has a molecular weight of 282.35 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103353175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).