5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione

C15H26F3N3O2 — CID 123242256

IUPAC5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione
SMILESCCN(CCN(C)C)C(C1CN(C)C(C)C(=O)C1=O)C(F)(F)F
InChIInChI=1S/C15H26F3N3O2/c1-6-21(8-7-19(3)4)14(15(16,17)18)11-9-20(5)10(2)12(22)13(11)23/h10-11,14H,6-9H2,1-5H3
InChIKeyLREBUOWBHPUICD-UHFFFAOYSA-N
MW337.39 g/mol
LogP0.89
Rot. Bonds6

About 5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione

5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione (PubChem CID 123242256) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione.

Molecular Properties

Compound Name5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione
PubChem CID123242256
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione
SMILESCCN(CCN(C)C)C(C1CN(C)C(C)C(=O)C1=O)C(F)(F)F
InChIInChI=1S/C15H26F3N3O2/c1-6-21(8-7-19(3)4)14(15(16,17)18)11-9-20(5)10(2)12(22)13(11)23/h10-11,14H,6-9H2,1-5H3
InChIKeyLREBUOWBHPUICD-UHFFFAOYSA-N
XLogP0.89
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione?
The IUPAC name of 5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione (CID 123242256) is 5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione.
What is the SMILES notation for 5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione?
The canonical SMILES for 5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione is CCN(CCN(C)C)C(C1CN(C)C(C)C(=O)C1=O)C(F)(F)F.
What is the InChIKey of 5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione?
The InChIKey is LREBUOWBHPUICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c1-6-21(8-7-19(3)4)14(15(16,17)18)11-9-20(5)10(2)12(22)13(11)23/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione?
5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione has a molecular weight of 337.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(dimethylamino)ethyl-ethylamino]-2,2,2-trifluoroethyl]-1,2-dimethylpiperidine-3,4-dione is sourced from PubChem (CID 123242256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).