5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one

C9H15F3N2O2 — CID 64978072

IUPAC5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one
SMILESNC1CCC(=O)N(CCOCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-4-3-14-5-7(13)1-2-8(14)15/h7H,1-6,13H2
InChIKeyZHPAZMWJZWQMJO-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.51
Rot. Bonds4

About 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one

5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one (PubChem CID 64978072) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one
PubChem CID64978072
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one
SMILESNC1CCC(=O)N(CCOCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-4-3-14-5-7(13)1-2-8(14)15/h7H,1-6,13H2
InChIKeyZHPAZMWJZWQMJO-UHFFFAOYSA-N
XLogP0.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-(3,3-dimethylbutyl)piperidin-2-one
CID 64977979
5-amino-1-(4-methoxybutyl)piperidin-2-one
CID 104650472
5-amino-1-(2-hydroxyethyl)piperidin-2-one;hydrochloride
CID 69008245
5-amino-1-butylpiperidin-2-one
CID 64978058
5-amino-1-pentylpiperidin-2-one
CID 64977965
5-amino-1-dodecylpiperidin-2-one
CID 64977984
5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid
CID 83192025
1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64873258
9-[2-(2,2,2-trifluoroethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 55261850
3-butan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazepane-2,5-dione
CID 64884117
5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one
CID 103142087
1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 71094030

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one?
The IUPAC name of 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one (CID 64978072) is 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one?
The canonical SMILES for 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one is NC1CCC(=O)N(CCOCC(F)(F)F)C1.
What is the InChIKey of 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one?
The InChIKey is ZHPAZMWJZWQMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-4-3-14-5-7(13)1-2-8(14)15/h7H,1-6,13H2.
What are the key properties of 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one?
5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one has a molecular weight of 240.22 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one is sourced from PubChem (CID 64978072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).