2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate

C11H14F7NO2 — CID 59203967

IUPAC2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESO=C(OCCN1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F7NO2/c12-9(13,10(14,15)11(16,17)18)8(20)21-7-6-19-4-2-1-3-5-19/h1-7H2
InChIKeyARJZLCYLQKWOLP-UHFFFAOYSA-N
MW325.22 g/mol
LogP2.85
Rot. Bonds5

About 2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate

2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate (PubChem CID 59203967) has the molecular formula C11H14F7NO2 and a molecular weight of 325.22 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate
PubChem CID59203967
Molecular FormulaC11H14F7NO2
Molecular Weight325.22 g/mol
Exact Mass325.09
IUPAC Name2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESO=C(OCCN1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F7NO2/c12-9(13,10(14,15)11(16,17)18)8(20)21-7-6-19-4-2-1-3-5-19/h1-7H2
InChIKeyARJZLCYLQKWOLP-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Piperidin-1-ylethyl 2,2,2-trifluoroacetate
CID 17857660
4-Morpholin-4-ylbutyl 2,2-difluoropropanoate
CID 58341555
6-Morpholin-4-ylhexyl 2,2-difluoropropanoate
CID 58341585
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
CID 58855369
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5-octafluoropentanoate
CID 58855384
(4,4,5,5,6,6,7,7,7-Nonafluoro-1-morpholin-4-ylheptan-2-yl) 2,2,2-trifluoroacetate
CID 58855399
2-Morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 58855410
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate
CID 58855414
2,2,3,3-Tetrafluoropropyl 3-morpholin-4-ylpropanoate
CID 58855425
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
CID 58855442
(4,4,5,5,6,6,7,7,7-Nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate
CID 58855461
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 58855477

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The IUPAC name of 2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate (CID 59203967) is 2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The canonical SMILES for 2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate is O=C(OCCN1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The InChIKey is ARJZLCYLQKWOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F7NO2/c12-9(13,10(14,15)11(16,17)18)8(20)21-7-6-19-4-2-1-3-5-19/h1-7H2.
What are the key properties of 2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate has a molecular weight of 325.22 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2,2,3,3,4,4,4-heptafluorobutanoate is sourced from PubChem (CID 59203967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).