4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine

C17H20F7NO2 — CID 20735348

IUPAC4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine
SMILESFC(F)(F)C(F)(F)C(F)(F)COCc1ccc(COC2CCNCC2)cc1
InChIInChI=1S/C17H20F7NO2/c18-15(19,16(20,21)17(22,23)24)11-26-9-12-1-3-13(4-2-12)10-27-14-5-7-25-8-6-14/h1-4,14,25H,5-11H2
InChIKeyYMPGAWAGQGEVDE-UHFFFAOYSA-N
MW403.34 g/mol
LogP4.30
Rot. Bonds8

About 4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine

4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine (PubChem CID 20735348) has the molecular formula C17H20F7NO2 and a molecular weight of 403.34 g/mol. Its IUPAC name is 4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine.

Molecular Properties

Compound Name4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine
PubChem CID20735348
Molecular FormulaC17H20F7NO2
Molecular Weight403.34 g/mol
Exact Mass403.14
IUPAC Name4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine
SMILESFC(F)(F)C(F)(F)C(F)(F)COCc1ccc(COC2CCNCC2)cc1
InChIInChI=1S/C17H20F7NO2/c18-15(19,16(20,21)17(22,23)24)11-26-9-12-1-3-13(4-2-12)10-27-14-5-7-25-8-6-14/h1-4,14,25H,5-11H2
InChIKeyYMPGAWAGQGEVDE-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Flumexadol
CID 65774
2-(4-(Benzyloxy)piperidin-1-yl)-N-methylethanamine
CID 53868701
N-(cyclohexylmethyl)-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine
CID 164625324
4-Phenyl-4-(4-trifluoromethyl-benzyloxymethyl)-piperidine
CID 19960248
4-Benzyloxymethyl-piperidine
CID 6484121
Flumexadol HCl
CID 208046
4-(Benzyloxy)piperidine
CID 3157460
(1S,5R)-3-phenylmethoxy-3-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane
CID 76316944
N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine
CID 134132824
N-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine
CID 134135786
N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine
CID 134137361
2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-N-methylethanamine
CID 134140748

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine?
The IUPAC name of 4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine (CID 20735348) is 4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine.
What is the SMILES notation for 4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine?
The canonical SMILES for 4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine is FC(F)(F)C(F)(F)C(F)(F)COCc1ccc(COC2CCNCC2)cc1.
What is the InChIKey of 4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine?
The InChIKey is YMPGAWAGQGEVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F7NO2/c18-15(19,16(20,21)17(22,23)24)11-26-9-12-1-3-13(4-2-12)10-27-14-5-7-25-8-6-14/h1-4,14,25H,5-11H2.
What are the key properties of 4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine?
4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine has a molecular weight of 403.34 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)phenyl]methoxy]piperidine is sourced from PubChem (CID 20735348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).