1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

C12H21F3N2O2 — CID 103205309

IUPAC1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCCC1CN(C(=O)CCOCC(F)(F)F)CCC1N
InChIInChI=1S/C12H21F3N2O2/c1-2-9-7-17(5-3-10(9)16)11(18)4-6-19-8-12(13,14)15/h9-10H,2-8,16H2,1H3
InChIKeyDNIFFLMAVKCVHE-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.54
Rot. Bonds5

About 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 103205309) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID103205309
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCCC1CN(C(=O)CCOCC(F)(F)F)CCC1N
InChIInChI=1S/C12H21F3N2O2/c1-2-9-7-17(5-3-10(9)16)11(18)4-6-19-8-12(13,14)15/h9-10H,2-8,16H2,1H3
InChIKeyDNIFFLMAVKCVHE-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.54
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-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 103205309) is 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is CCC1CN(C(=O)CCOCC(F)(F)F)CCC1N.
What is the InChIKey of 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is DNIFFLMAVKCVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-9-7-17(5-3-10(9)16)11(18)4-6-19-8-12(13,14)15/h9-10H,2-8,16H2,1H3.
What are the key properties of 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 282.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 103205309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).