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

C14H19NO2 — CID 6040

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
SMILESc1ccc2c(c1)OCC(CN1CCCCC1)O2
InChIInChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeyLYKMMUBOEFYJQG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.31
Rot. Bonds2

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

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine (PubChem CID 6040) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
PubChem CID6040
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
SMILESc1ccc2c(c1)OCC(CN1CCCCC1)O2
InChIInChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeyLYKMMUBOEFYJQG-UHFFFAOYSA-N
XLogP2.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-propylpiperazine;dihydrochloride
CID 52997126
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine
CID 25174673
(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,N-dimethylpiperidin-3-amine
CID 159117101
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-1,4-diazepane
CID 134708736
(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine
CID 25174350
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepan-2-imine
CID 67572582
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]pyrrolidine-2,5-dione
CID 138621557
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]pyrrolidine-2,5-dione
CID 138621554

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine (CID 6040) is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine is c1ccc2c(c1)OCC(CN1CCCCC1)O2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine?
The InChIKey is LYKMMUBOEFYJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine?
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine has a molecular weight of 233.31 g/mol, XLogP of 2.31, 2 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-ylmethyl)piperidine is sourced from PubChem (CID 6040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).