1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine

C13H18N2O2 — CID 141032504

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine
SMILESNC1CCCCN1c1cccc2c1OCCO2
InChIInChI=1S/C13H18N2O2/c14-12-6-1-2-7-15(12)10-4-3-5-11-13(10)17-9-8-16-11/h3-5,12H,1-2,6-9,14H2
InChIKeyJFPOGSWFMJOPGG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.73
Rot. Bonds1

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine (PubChem CID 141032504) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine
PubChem CID141032504
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine
SMILESNC1CCCCN1c1cccc2c1OCCO2
InChIInChI=1S/C13H18N2O2/c14-12-6-1-2-7-15(12)10-4-3-5-11-13(10)17-9-8-16-11/h3-5,12H,1-2,6-9,14H2
InChIKeyJFPOGSWFMJOPGG-UHFFFAOYSA-N
XLogP1.73
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine (CID 141032504) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine is NC1CCCCN1c1cccc2c1OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine?
The InChIKey is JFPOGSWFMJOPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12-6-1-2-7-15(12)10-4-3-5-11-13(10)17-9-8-16-11/h3-5,12H,1-2,6-9,14H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine has a molecular weight of 234.30 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-2-amine is sourced from PubChem (CID 141032504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).