2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C13H21F3N2O2 — CID 63876204

IUPAC2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(COC1CCNCC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-2-1-7-18(8-10)12(19)9-20-11-3-5-17-6-4-11/h10-11,17H,1-9H2
InChIKeyKPVOTXGXEJBGPS-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.56
Rot. Bonds3

About 2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 63876204) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID63876204
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(COC1CCNCC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-2-1-7-18(8-10)12(19)9-20-11-3-5-17-6-4-11/h10-11,17H,1-9H2
InChIKeyKPVOTXGXEJBGPS-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 63876204) is 2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(COC1CCNCC1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is KPVOTXGXEJBGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)10-2-1-7-18(8-10)12(19)9-20-11-3-5-17-6-4-11/h10-11,17H,1-9H2.
What are the key properties of 2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 294.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yloxy-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 63876204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).