ethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate

C10H16F3NO4 — CID 68689812

IUPACethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate
SMILESCCOC(=O)[NH+]1CCCCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C8H15NO2.C2HF3O2/c1-2-11-8(10)9-6-4-3-5-7-9;3-2(4,5)1(6)7/h2-7H2,1H3;(H,6,7)
InChIKeyBWSDYAUEFRBNAS-UHFFFAOYSA-N
MW271.23 g/mol
LogP-0.49
Rot. Bonds1

About ethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate

ethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate (PubChem CID 68689812) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is ethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate.

Molecular Properties

Compound Nameethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate
PubChem CID68689812
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Nameethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate
SMILESCCOC(=O)[NH+]1CCCCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C8H15NO2.C2HF3O2/c1-2-11-8(10)9-6-4-3-5-7-9;3-2(4,5)1(6)7/h2-7H2,1H3;(H,6,7)
InChIKeyBWSDYAUEFRBNAS-UHFFFAOYSA-N
XLogP-0.49
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate?
The IUPAC name of ethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate (CID 68689812) is ethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate.
What is the SMILES notation for ethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate?
The canonical SMILES for ethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate is CCOC(=O)[NH+]1CCCCC1.O=C([O-])C(F)(F)F.
What is the InChIKey of ethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate?
The InChIKey is BWSDYAUEFRBNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2HF3O2/c1-2-11-8(10)9-6-4-3-5-7-9;3-2(4,5)1(6)7/h2-7H2,1H3;(H,6,7).
What are the key properties of ethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate?
ethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate has a molecular weight of 271.23 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate is sourced from PubChem (CID 68689812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).