3-(1,3-benzodioxol-2-yl)piperidine

C12H15NO2 — CID 115062724

IUPAC3-(1,3-benzodioxol-2-yl)piperidine
SMILESc1ccc2c(c1)OC(C1CCCNC1)O2
InChIInChI=1S/C12H15NO2/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,12-13H,3-4,7-8H2
InChIKeyVGJFJMCADYOBFF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.78
Rot. Bonds1

About 3-(1,3-benzodioxol-2-yl)piperidine

3-(1,3-benzodioxol-2-yl)piperidine (PubChem CID 115062724) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-2-yl)piperidine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-2-yl)piperidine
PubChem CID115062724
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-(1,3-benzodioxol-2-yl)piperidine
SMILESc1ccc2c(c1)OC(C1CCCNC1)O2
InChIInChI=1S/C12H15NO2/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,12-13H,3-4,7-8H2
InChIKeyVGJFJMCADYOBFF-UHFFFAOYSA-N
XLogP1.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine
CID 115062610
2-(1,3-benzodioxol-2-yl)pyrrolidine
CID 144586760
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
(3S)-3-cyclohexylpiperidine
CID 7016473
(3R,4R)-3,4-diphenylazepane;ethane
CID 123989610
(1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine
CID 10534823
N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 71641052
(4aR,11bS)-1,2,3,4,4a,5,6,11b-octahydro-[1]benzoxepino[4,5-c]pyridine
CID 165145899
(4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride
CID 175798216
1-benzyl-2-piperidin-3-ylpiperidine
CID 82380311
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-3-carboxamide
CID 61249148
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;azepane;azocane;2,3-dihydro-1H-indene;piperidine;pyrrolidine
CID 157345771

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-2-yl)piperidine?
The IUPAC name of 3-(1,3-benzodioxol-2-yl)piperidine (CID 115062724) is 3-(1,3-benzodioxol-2-yl)piperidine.
What is the SMILES notation for 3-(1,3-benzodioxol-2-yl)piperidine?
The canonical SMILES for 3-(1,3-benzodioxol-2-yl)piperidine is c1ccc2c(c1)OC(C1CCCNC1)O2.
What is the InChIKey of 3-(1,3-benzodioxol-2-yl)piperidine?
The InChIKey is VGJFJMCADYOBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,12-13H,3-4,7-8H2.
What are the key properties of 3-(1,3-benzodioxol-2-yl)piperidine?
3-(1,3-benzodioxol-2-yl)piperidine has a molecular weight of 205.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-2-yl)piperidine is sourced from PubChem (CID 115062724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).