2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C13H23F3N2O2 — CID 78896994

IUPAC2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCCCN(CCO)CC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-2-5-17(7-8-19)10-12(20)18-6-3-4-11(9-18)13(14,15)16/h11,19H,2-10H2,1H3
InChIKeyPUVPMSMBOMFODB-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.49
Rot. Bonds6

About 2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 78896994) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID78896994
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCCCN(CCO)CC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-2-5-17(7-8-19)10-12(20)18-6-3-4-11(9-18)13(14,15)16/h11,19H,2-10H2,1H3
InChIKeyPUVPMSMBOMFODB-UHFFFAOYSA-N
XLogP1.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 78896994) is 2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is CCCN(CCO)CC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is PUVPMSMBOMFODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-2-5-17(7-8-19)10-12(20)18-6-3-4-11(9-18)13(14,15)16/h11,19H,2-10H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 296.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 78896994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).