2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine

C17H26N2O2 — CID 62654861

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
SMILESCN1CCCCC1CNCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H26N2O2/c1-19-9-3-2-4-15(19)13-18-8-7-14-5-6-16-17(12-14)21-11-10-20-16/h5-6,12,15,18H,2-4,7-11,13H2,1H3
InChIKeyYXEPQVGXBOUIOV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.07
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine (PubChem CID 62654861) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
PubChem CID62654861
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
SMILESCN1CCCCC1CNCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H26N2O2/c1-19-9-3-2-4-15(19)13-18-8-7-14-5-6-16-17(12-14)21-11-10-20-16/h5-6,12,15,18H,2-4,7-11,13H2,1H3
InChIKeyYXEPQVGXBOUIOV-UHFFFAOYSA-N
XLogP2.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine
CID 141275446
N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine
CID 83960579
N-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103001171
2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 139829326
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206548
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81295796
6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075519
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine
CID 115226007
2-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)ethanamine
CID 67231826
N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730058
1-(1-methylpyrrolidin-2-yl)-N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]methanamine
CID 103698758

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine (CID 62654861) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine is CN1CCCCC1CNCCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The InChIKey is YXEPQVGXBOUIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-9-3-2-4-15(19)13-18-8-7-14-5-6-16-17(12-14)21-11-10-20-16/h5-6,12,15,18H,2-4,7-11,13H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine has a molecular weight of 290.41 g/mol, XLogP of 2.07, 5 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-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 62654861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).