2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine

C16H24N2O2 — CID 83986778

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCN1CCCCC1C(CN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O2/c1-18-7-3-2-4-14(18)13(11-17)12-5-6-15-16(10-12)20-9-8-19-15/h5-6,10,13-14H,2-4,7-9,11,17H2,1H3
InChIKeyNEBHDKNLQQTPEJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.98
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 83986778) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine
PubChem CID83986778
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCN1CCCCC1C(CN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O2/c1-18-7-3-2-4-14(18)13(11-17)12-5-6-15-16(10-12)20-9-8-19-15/h5-6,10,13-14H,2-4,7-9,11,17H2,1H3
InChIKeyNEBHDKNLQQTPEJ-UHFFFAOYSA-N
XLogP1.98
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine
CID 83986798
2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83987713
2-(4-methoxy-3-methylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83986819
2-(3-methylphenyl)-2-(1-methylpyrrolidin-2-yl)ethanamine
CID 82393170
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 16641482
2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115997961
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine
CID 141275446
N'-cyclopentyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methylethane-1,2-diamine
CID 43267145
2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone
CID 110406997
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-prop-2-ynylethane-1,2-diamine
CID 65380967
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propane-1,3-diamine
CID 83922116
[cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105204466

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine (CID 83986778) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine is CN1CCCCC1C(CN)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is NEBHDKNLQQTPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18-7-3-2-4-14(18)13(11-17)12-5-6-15-16(10-12)20-9-8-19-15/h5-6,10,13-14H,2-4,7-9,11,17H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 276.38 g/mol, XLogP of 1.98, 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-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 83986778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).