3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine

C14H19NO2 — CID 115062610

IUPAC3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine
SMILESc1ccc2c(c1)COC(C1CCCNC1)OC2
InChIInChI=1S/C14H19NO2/c1-2-5-13-10-17-14(16-9-12(13)4-1)11-6-3-7-15-8-11/h1-2,4-5,11,14-15H,3,6-10H2
InChIKeyWBJLUXJSLMEMCU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.06
Rot. Bonds1

About 3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine

3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine (PubChem CID 115062610) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine.

Molecular Properties

Compound Name3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine
PubChem CID115062610
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine
SMILESc1ccc2c(c1)COC(C1CCCNC1)OC2
InChIInChI=1S/C14H19NO2/c1-2-5-13-10-17-14(16-9-12(13)4-1)11-6-3-7-15-8-11/h1-2,4-5,11,14-15H,3,6-10H2
InChIKeyWBJLUXJSLMEMCU-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine
CID 10353889
3-(1,3-benzodioxol-2-yl)piperidine
CID 115062724
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;azepane;azocane;2,3-dihydro-1H-indene;piperidine;pyrrolidine
CID 157345771
3-(6-fluoro-4H-1,3-benzodioxin-2-yl)pyrrolidine
CID 115062666
4-(2-fluorophenyl)-6-piperidin-3-ylmorpholin-3-one
CID 115067856
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isoquinoline
CID 54260071
(3S)-3-cyclohexylpiperidine
CID 7016473
6-piperidin-3-ylmorpholin-3-one
CID 115067880
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
6-fluoro-2-piperidin-3-yl-2,3-dihydro-1H-indole
CID 70221565
3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine
CID 166747887

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine?
The IUPAC name of 3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine (CID 115062610) is 3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine.
What is the SMILES notation for 3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine?
The canonical SMILES for 3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine is c1ccc2c(c1)COC(C1CCCNC1)OC2.
What is the InChIKey of 3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine?
The InChIKey is WBJLUXJSLMEMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-5-13-10-17-14(16-9-12(13)4-1)11-6-3-7-15-8-11/h1-2,4-5,11,14-15H,3,6-10H2.
What are the key properties of 3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine?
3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine has a molecular weight of 233.31 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine is sourced from PubChem (CID 115062610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).