3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine

C18H19F2NO2 — CID 141404874

IUPAC3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine
SMILESCOc1ccc(F)c(N2CCC(Oc3ccccc3)C(F)C2)c1
InChIInChI=1S/C18H19F2NO2/c1-22-14-7-8-15(19)17(11-14)21-10-9-18(16(20)12-21)23-13-5-3-2-4-6-13/h2-8,11,16,18H,9-10,12H2,1H3
InChIKeyTXOBKZLQCVQFSO-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.83
Rot. Bonds4

About 3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine

3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine (PubChem CID 141404874) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine.

Molecular Properties

Compound Name3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine
PubChem CID141404874
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine
SMILESCOc1ccc(F)c(N2CCC(Oc3ccccc3)C(F)C2)c1
InChIInChI=1S/C18H19F2NO2/c1-22-14-7-8-15(19)17(11-14)21-10-9-18(16(20)12-21)23-13-5-3-2-4-6-13/h2-8,11,16,18H,9-10,12H2,1H3
InChIKeyTXOBKZLQCVQFSO-UHFFFAOYSA-N
XLogP3.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine?
The IUPAC name of 3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine (CID 141404874) is 3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine.
What is the SMILES notation for 3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine?
The canonical SMILES for 3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine is COc1ccc(F)c(N2CCC(Oc3ccccc3)C(F)C2)c1.
What is the InChIKey of 3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine?
The InChIKey is TXOBKZLQCVQFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-22-14-7-8-15(19)17(11-14)21-10-9-18(16(20)12-21)23-13-5-3-2-4-6-13/h2-8,11,16,18H,9-10,12H2,1H3.
What are the key properties of 3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine?
3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine has a molecular weight of 319.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine is sourced from PubChem (CID 141404874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).