1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone

C11H19F3N2O2 — CID 55261841

IUPAC1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone
SMILESO=C(CNCCOCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)9-18-7-4-15-8-10(17)16-5-2-1-3-6-16/h15H,1-9H2
InChIKeyPZXWQYTYUXVQHP-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.17
Rot. Bonds6

About 1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone

1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone (PubChem CID 55261841) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone
PubChem CID55261841
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone
SMILESO=C(CNCCOCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)9-18-7-4-15-8-10(17)16-5-2-1-3-6-16/h15H,1-9H2
InChIKeyPZXWQYTYUXVQHP-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.17
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-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone (CID 55261841) is 1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone is O=C(CNCCOCC(F)(F)F)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone?
The InChIKey is PZXWQYTYUXVQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)9-18-7-4-15-8-10(17)16-5-2-1-3-6-16/h15H,1-9H2.
What are the key properties of 1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone?
1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone has a molecular weight of 268.28 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone is sourced from PubChem (CID 55261841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).