2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane

C14H19NO2 — CID 5210314

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
SMILESc1cc2c(cc1C1CCCCCN1)OCCO2
InChIInChI=1S/C14H19NO2/c1-2-4-12(15-7-3-1)11-5-6-13-14(10-11)17-9-8-16-13/h5-6,10,12,15H,1-4,7-9H2
InChIKeyLKPSWHJFBQNBOU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.66
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane

2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane (PubChem CID 5210314) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
PubChem CID5210314
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
SMILESc1cc2c(cc1C1CCCCCN1)OCCO2
InChIInChI=1S/C14H19NO2/c1-2-4-12(15-7-3-1)11-5-6-13-14(10-11)17-9-8-16-13/h5-6,10,12,15H,1-4,7-9H2
InChIKeyLKPSWHJFBQNBOU-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 66519216
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine
CID 117436350
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine
CID 66328132
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387275
(2S)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine
CID 66519154
4-piperidin-2-ylphenol
CID 19711202
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
(2S)-2-phenylpiperidine
CID 10997356
2-(5-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 116987778
5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 82158646
2-(1,3-benzodioxol-5-yl)piperazine
CID 2771771

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane (CID 5210314) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane is c1cc2c(cc1C1CCCCCN1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane?
The InChIKey is LKPSWHJFBQNBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-4-12(15-7-3-1)11-5-6-13-14(10-11)17-9-8-16-13/h5-6,10,12,15H,1-4,7-9H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane has a molecular weight of 233.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane is sourced from PubChem (CID 5210314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).