4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine

C17H23F2NO2 — CID 58772339

IUPAC4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine
SMILESCOc1c(F)cc(F)cc1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H23F2NO2/c1-21-17-15(10-13(18)11-16(17)19)12-2-6-20(7-3-12)14-4-8-22-9-5-14/h10-12,14H,2-9H2,1H3
InChIKeyZIFRBOZXONTXTK-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.33
Rot. Bonds3

About 4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine

4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine (PubChem CID 58772339) has the molecular formula C17H23F2NO2 and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine
PubChem CID58772339
Molecular FormulaC17H23F2NO2
Molecular Weight311.37 g/mol
Exact Mass311.17
IUPAC Name4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine
SMILESCOc1c(F)cc(F)cc1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H23F2NO2/c1-21-17-15(10-13(18)11-16(17)19)12-2-6-20(7-3-12)14-4-8-22-9-5-14/h10-12,14H,2-9H2,1H3
InChIKeyZIFRBOZXONTXTK-UHFFFAOYSA-N
XLogP3.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine?
The IUPAC name of 4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine (CID 58772339) is 4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine.
What is the SMILES notation for 4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine?
The canonical SMILES for 4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine is COc1c(F)cc(F)cc1C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine?
The InChIKey is ZIFRBOZXONTXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO2/c1-21-17-15(10-13(18)11-16(17)19)12-2-6-20(7-3-12)14-4-8-22-9-5-14/h10-12,14H,2-9H2,1H3.
What are the key properties of 4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine?
4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine has a molecular weight of 311.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 58772339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).