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

C9H14F3NO — CID 23381377

IUPAC1-(4-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-2-7-3-5-13(6-4-7)8(14)9(10,11)12/h7H,2-6H2,1H3
InChIKeyDWNRILINEYWOOU-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.20
Rot. Bonds1

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

1-(4-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 23381377) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID23381377
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-(4-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-2-7-3-5-13(6-4-7)8(14)9(10,11)12/h7H,2-6H2,1H3
InChIKeyDWNRILINEYWOOU-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone (CID 23381377) is 1-(4-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone is CCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is DWNRILINEYWOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-2-7-3-5-13(6-4-7)8(14)9(10,11)12/h7H,2-6H2,1H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(4-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 209.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 23381377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).