3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine

C15H20FNO3 — CID 117451438

IUPAC3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine
SMILESCOc1c(F)cc2c(c1C1CCCNC1)OCCCO2
InChIInChI=1S/C15H20FNO3/c1-18-14-11(16)8-12-15(20-7-3-6-19-12)13(14)10-4-2-5-17-9-10/h8,10,17H,2-7,9H2,1H3
InChIKeyLEVKOOKWQUPGIY-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.46
Rot. Bonds2

About 3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine

3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine (PubChem CID 117451438) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine.

Molecular Properties

Compound Name3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine
PubChem CID117451438
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine
SMILESCOc1c(F)cc2c(c1C1CCCNC1)OCCCO2
InChIInChI=1S/C15H20FNO3/c1-18-14-11(16)8-12-15(20-7-3-6-19-12)13(14)10-4-2-5-17-9-10/h8,10,17H,2-7,9H2,1H3
InChIKeyLEVKOOKWQUPGIY-UHFFFAOYSA-N
XLogP2.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117385693
8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117456067
3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine
CID 117385756
2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine
CID 117385569
2-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117456238
3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116459
3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117371269
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine
CID 84704148
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117423076
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
5-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1H-pyrazol-3-amine
CID 117447594

Frequently Asked Questions

What is the IUPAC name of 3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine?
The IUPAC name of 3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine (CID 117451438) is 3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine.
What is the SMILES notation for 3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine?
The canonical SMILES for 3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine is COc1c(F)cc2c(c1C1CCCNC1)OCCCO2.
What is the InChIKey of 3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine?
The InChIKey is LEVKOOKWQUPGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-18-14-11(16)8-12-15(20-7-3-6-19-12)13(14)10-4-2-5-17-9-10/h8,10,17H,2-7,9H2,1H3.
What are the key properties of 3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine?
3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine has a molecular weight of 281.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine is sourced from PubChem (CID 117451438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).