4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid

C9H16F3NO3 — CID 68601859

IUPAC4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid
SMILESCCC1(O)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15NO.C2HF3O2/c1-2-7(9)3-5-8-6-4-7;3-2(4,5)1(6)7/h8-9H,2-6H2,1H3;(H,6,7)
InChIKeyZRJXNQGYXLWOCQ-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.14
Rot. Bonds1

About 4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid

4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid (PubChem CID 68601859) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid
PubChem CID68601859
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid
SMILESCCC1(O)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15NO.C2HF3O2/c1-2-7(9)3-5-8-6-4-7;3-2(4,5)1(6)7/h8-9H,2-6H2,1H3;(H,6,7)
InChIKeyZRJXNQGYXLWOCQ-UHFFFAOYSA-N
XLogP1.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid (CID 68601859) is 4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid is CCC1(O)CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid?
The InChIKey is ZRJXNQGYXLWOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2HF3O2/c1-2-7(9)3-5-8-6-4-7;3-2(4,5)1(6)7/h8-9H,2-6H2,1H3;(H,6,7).
What are the key properties of 4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid?
4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid has a molecular weight of 243.22 g/mol, XLogP of 1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68601859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).