ethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid

C12H20F3NO4 — CID 66988009

IUPACethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)C1(CC)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19NO2.C2HF3O2/c1-3-10(9(12)13-4-2)5-7-11-8-6-10;3-2(4,5)1(6)7/h11H,3-8H2,1-2H3;(H,6,7)
InChIKeyOQNUGOJRCHRIEK-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.96
Rot. Bonds3

About ethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid

ethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 66988009) has the molecular formula C12H20F3NO4 and a molecular weight of 299.29 g/mol. Its IUPAC name is ethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID66988009
Molecular FormulaC12H20F3NO4
Molecular Weight299.29 g/mol
Exact Mass299.13
IUPAC Nameethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)C1(CC)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19NO2.C2HF3O2/c1-3-10(9(12)13-4-2)5-7-11-8-6-10;3-2(4,5)1(6)7/h11H,3-8H2,1-2H3;(H,6,7)
InChIKeyOQNUGOJRCHRIEK-UHFFFAOYSA-N
XLogP1.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of ethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid (CID 66988009) is ethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid is CCOC(=O)C1(CC)CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of ethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is OQNUGOJRCHRIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2HF3O2/c1-3-10(9(12)13-4-2)5-7-11-8-6-10;3-2(4,5)1(6)7/h11H,3-8H2,1-2H3;(H,6,7).
What are the key properties of ethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid?
ethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 299.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66988009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).