3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine

C15H20FNO2 — CID 112565451

IUPAC3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine
SMILESFC(c1ccc2c(c1)OCCCO2)C1CCCNC1
InChIInChI=1S/C15H20FNO2/c16-15(12-3-1-6-17-10-12)11-4-5-13-14(9-11)19-8-2-7-18-13/h4-5,9,12,15,17H,1-3,6-8,10H2
InChIKeyIBPIUYPXZRUCGB-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.86
Rot. Bonds2

About 3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine

3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine (PubChem CID 112565451) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine.

Molecular Properties

Compound Name3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine
PubChem CID112565451
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine
SMILESFC(c1ccc2c(c1)OCCCO2)C1CCCNC1
InChIInChI=1S/C15H20FNO2/c16-15(12-3-1-6-17-10-12)11-4-5-13-14(9-11)19-8-2-7-18-13/h4-5,9,12,15,17H,1-3,6-8,10H2
InChIKeyIBPIUYPXZRUCGB-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]pyrrolidine
CID 106640425
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine
CID 106634988
3-[(4-tert-butylphenyl)-fluoromethyl]piperidine
CID 112565434
2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol
CID 43146492
1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 95489813
3-[fluoro-(3-methoxyphenyl)methyl]piperidine
CID 84725285
4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine
CID 104545402
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrrolidin-2-yl)methanamine
CID 82296425
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-piperidin-3-ylmethanol
CID 43330491
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)piperidine
CID 115480075
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299369
7-(1-bromo-2,2-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 103514479

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine?
The IUPAC name of 3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine (CID 112565451) is 3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine.
What is the SMILES notation for 3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine?
The canonical SMILES for 3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine is FC(c1ccc2c(c1)OCCCO2)C1CCCNC1.
What is the InChIKey of 3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine?
The InChIKey is IBPIUYPXZRUCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-15(12-3-1-6-17-10-12)11-4-5-13-14(9-11)19-8-2-7-18-13/h4-5,9,12,15,17H,1-3,6-8,10H2.
What are the key properties of 3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine?
3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine has a molecular weight of 265.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine is sourced from PubChem (CID 112565451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).