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

C13H16N2O2 — CID 54966801

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H16N2O2/c14-13-3-1-2-6-15(13)10-4-5-11-12(9-10)17-8-7-16-11/h4-5,9,14H,1-3,6-8H2/b14-13+
InChIKeyIKEMYKXFQIYYLZ-BUHFOSPRSA-N
MW232.28 g/mol
LogP2.43
Rot. Bonds1

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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine (PubChem CID 54966801) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine
PubChem CID54966801
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H16N2O2/c14-13-3-1-2-6-15(13)10-4-5-11-12(9-10)17-8-7-16-11/h4-5,9,14H,1-3,6-8H2/b14-13+
InChIKeyIKEMYKXFQIYYLZ-BUHFOSPRSA-N
XLogP2.43
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-2-ylpyrrolidin-2-imine
CID 60722830
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-2,3-dione
CID 54972758
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-diazinan-2-one
CID 115370868
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 8747510
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 39447919
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50879370
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline
CID 117006773
1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-2-imine
CID 54966703
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbothioamide
CID 17375162
1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one
CID 115370915
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 41411831

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine (CID 54966801) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine is [H]/N=C1\CCCCN1c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine?
The InChIKey is IKEMYKXFQIYYLZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-13-3-1-2-6-15(13)10-4-5-11-12(9-10)17-8-7-16-11/h4-5,9,14H,1-3,6-8H2/b14-13+.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine has a molecular weight of 232.28 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine is sourced from PubChem (CID 54966801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).