1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine

C13H17NO2 — CID 54425684

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine
SMILESc1ccc2c(c1)OCC(N1CCCCC1)O2
InChIInChI=1S/C13H17NO2/c1-4-8-14(9-5-1)13-10-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,13H,1,4-5,8-10H2
InChIKeyWDXGVBMIYHPPFA-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.27
Rot. Bonds1

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

1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine (PubChem CID 54425684) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine
PubChem CID54425684
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine
SMILESc1ccc2c(c1)OCC(N1CCCCC1)O2
InChIInChI=1S/C13H17NO2/c1-4-8-14(9-5-1)13-10-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,13H,1,4-5,8-10H2
InChIKeyWDXGVBMIYHPPFA-UHFFFAOYSA-N
XLogP2.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine
CID 125478085
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
8-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10292279
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829
(1R,3R)-2,5,22-trioxa-12,15-diazapentacyclo[13.8.0.03,12.06,11.016,21]tricosa-6,8,10,16,18,20-hexaene
CID 102509722
(3R)-3-[(2S)-oxiran-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 12736709
cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methanone
CID 51150235
1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine
CID 97302014
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine (CID 54425684) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine is c1ccc2c(c1)OCC(N1CCCCC1)O2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine?
The InChIKey is WDXGVBMIYHPPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-8-14(9-5-1)13-10-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,13H,1,4-5,8-10H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine has a molecular weight of 219.28 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine is sourced from PubChem (CID 54425684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).