4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine

C14H19F2NO — CID 58103909

IUPAC4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine
SMILESCN1CCC(c2cccc(F)c2OCCF)CC1
InChIInChI=1S/C14H19F2NO/c1-17-8-5-11(6-9-17)12-3-2-4-13(16)14(12)18-10-7-15/h2-4,11H,5-10H2,1H3
InChIKeyXBWZULZETSTXNE-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.98
Rot. Bonds4

About 4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine

4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine (PubChem CID 58103909) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine
PubChem CID58103909
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine
SMILESCN1CCC(c2cccc(F)c2OCCF)CC1
InChIInChI=1S/C14H19F2NO/c1-17-8-5-11(6-9-17)12-3-2-4-13(16)14(12)18-10-7-15/h2-4,11H,5-10H2,1H3
InChIKeyXBWZULZETSTXNE-UHFFFAOYSA-N
XLogP2.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine?
The IUPAC name of 4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine (CID 58103909) is 4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine.
What is the SMILES notation for 4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine?
The canonical SMILES for 4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine is CN1CCC(c2cccc(F)c2OCCF)CC1.
What is the InChIKey of 4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine?
The InChIKey is XBWZULZETSTXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-17-8-5-11(6-9-17)12-3-2-4-13(16)14(12)18-10-7-15/h2-4,11H,5-10H2,1H3.
What are the key properties of 4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine?
4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine has a molecular weight of 255.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine is sourced from PubChem (CID 58103909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).