1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone

C9H14F3NO2 — CID 62726538

IUPAC1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCCOC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-2-15-7-3-5-13(6-4-7)8(14)9(10,11)12/h7H,2-6H2,1H3
InChIKeyCBNUGFKRKDUTOD-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.58
Rot. Bonds2

About 1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone

1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 62726538) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID62726538
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCCOC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-2-15-7-3-5-13(6-4-7)8(14)9(10,11)12/h7H,2-6H2,1H3
InChIKeyCBNUGFKRKDUTOD-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone (CID 62726538) is 1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone is CCOC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is CBNUGFKRKDUTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-2-15-7-3-5-13(6-4-7)8(14)9(10,11)12/h7H,2-6H2,1H3.
What are the key properties of 1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 225.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 62726538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).