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

C15H22N2O2 — CID 82048455

IUPAC2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylethanamine
SMILESNCC(c1cccc2c1OCCO2)N1CCCCC1
InChIInChI=1S/C15H22N2O2/c16-11-13(17-7-2-1-3-8-17)12-5-4-6-14-15(12)19-10-9-18-14/h4-6,13H,1-3,7-11,16H2
InChIKeyLWMAICNUIOVPFF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.94
Rot. Bonds3

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

2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylethanamine (PubChem CID 82048455) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylethanamine
PubChem CID82048455
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylethanamine
SMILESNCC(c1cccc2c1OCCO2)N1CCCCC1
InChIInChI=1S/C15H22N2O2/c16-11-13(17-7-2-1-3-8-17)12-5-4-6-14-15(12)19-10-9-18-14/h4-6,13H,1-3,7-11,16H2
InChIKeyLWMAICNUIOVPFF-UHFFFAOYSA-N
XLogP1.94
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylethanamine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylethanamine (CID 82048455) is 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylethanamine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylethanamine is NCC(c1cccc2c1OCCO2)N1CCCCC1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylethanamine?
The InChIKey is LWMAICNUIOVPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-11-13(17-7-2-1-3-8-17)12-5-4-6-14-15(12)19-10-9-18-14/h4-6,13H,1-3,7-11,16H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylethanamine?
2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylethanamine has a molecular weight of 262.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 82048455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).