1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine

C13H15F4NO — CID 172843480

IUPAC1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine
SMILESCOCc1c(F)c(F)c(N2CCCCC2)c(F)c1F
InChIInChI=1S/C13H15F4NO/c1-19-7-8-9(14)11(16)13(12(17)10(8)15)18-5-3-2-4-6-18/h2-7H2,1H3
InChIKeyXCKVZYOTJUXFIT-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.38
Rot. Bonds3

About 1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine

1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine (PubChem CID 172843480) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine
PubChem CID172843480
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine
SMILESCOCc1c(F)c(F)c(N2CCCCC2)c(F)c1F
InChIInChI=1S/C13H15F4NO/c1-19-7-8-9(14)11(16)13(12(17)10(8)15)18-5-3-2-4-6-18/h2-7H2,1H3
InChIKeyXCKVZYOTJUXFIT-UHFFFAOYSA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine?
The IUPAC name of 1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine (CID 172843480) is 1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine.
What is the SMILES notation for 1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine?
The canonical SMILES for 1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine is COCc1c(F)c(F)c(N2CCCCC2)c(F)c1F.
What is the InChIKey of 1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine?
The InChIKey is XCKVZYOTJUXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-19-7-8-9(14)11(16)13(12(17)10(8)15)18-5-3-2-4-6-18/h2-7H2,1H3.
What are the key properties of 1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine?
1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine has a molecular weight of 277.26 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine is sourced from PubChem (CID 172843480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).