4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine

C20H23F10NO2 — CID 20735349

IUPAC4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCc1ccc(COC2CCNCC2)cc1
InChIInChI=1S/C20H23F10NO2/c1-16(21,22)18(25,26)20(29,30)19(27,28)17(23,24)12-32-10-13-2-4-14(5-3-13)11-33-15-6-8-31-9-7-15/h2-5,15,31H,6-12H2,1H3
InChIKeyQCVLHDJOJKCTLB-UHFFFAOYSA-N
MW499.39 g/mol
LogP5.67
Rot. Bonds11

About 4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine

4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine (PubChem CID 20735349) has the molecular formula C20H23F10NO2 and a molecular weight of 499.39 g/mol. Its IUPAC name is 4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine.

Molecular Properties

Compound Name4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine
PubChem CID20735349
Molecular FormulaC20H23F10NO2
Molecular Weight499.39 g/mol
Exact Mass499.16
IUPAC Name4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCc1ccc(COC2CCNCC2)cc1
InChIInChI=1S/C20H23F10NO2/c1-16(21,22)18(25,26)20(29,30)19(27,28)17(23,24)12-32-10-13-2-4-14(5-3-13)11-33-15-6-8-31-9-7-15/h2-5,15,31H,6-12H2,1H3
InChIKeyQCVLHDJOJKCTLB-UHFFFAOYSA-N
XLogP5.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.39
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine with MolForge

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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
4-(Benzyloxy)piperidine
CID 3157460
4-[1-(4-Fluorophenyl)ethoxy]-1-methylpiperidine
CID 44404583
(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-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine?
The IUPAC name of 4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine (CID 20735349) is 4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine.
What is the SMILES notation for 4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine?
The canonical SMILES for 4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCc1ccc(COC2CCNCC2)cc1.
What is the InChIKey of 4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine?
The InChIKey is QCVLHDJOJKCTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F10NO2/c1-16(21,22)18(25,26)20(29,30)19(27,28)17(23,24)12-32-10-13-2-4-14(5-3-13)11-33-15-6-8-31-9-7-15/h2-5,15,31H,6-12H2,1H3.
What are the key properties of 4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine?
4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine has a molecular weight of 499.39 g/mol, XLogP of 5.67, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,2,3,3,4,4,5,5,6,6-decafluoroheptoxymethyl)phenyl]methoxy]piperidine is sourced from PubChem (CID 20735349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).