2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine

C16H24N2O2 — CID 83986798

IUPAC2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine
SMILESCCN1CCCCC1C(CN)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H24N2O2/c1-2-18-8-4-3-5-14(18)13(10-17)12-6-7-15-16(9-12)20-11-19-15/h6-7,9,13-14H,2-5,8,10-11,17H2,1H3
InChIKeyZDGWJXLXPIWUMF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.33
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine

2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine (PubChem CID 83986798) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine
PubChem CID83986798
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine
SMILESCCN1CCCCC1C(CN)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H24N2O2/c1-2-18-8-4-3-5-14(18)13(10-17)12-6-7-15-16(9-12)20-11-19-15/h6-7,9,13-14H,2-5,8,10-11,17H2,1H3
InChIKeyZDGWJXLXPIWUMF-UHFFFAOYSA-N
XLogP2.33
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986506
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83986778
4-[2-amino-1-(1-ethylpiperidin-2-yl)ethyl]phenol
CID 83987243
2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986705
2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986396
2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986706
2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584359
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1,3-benzodioxol-5-yl)ethanamine
CID 82752184
2-(3,4-dimethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986310
4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol
CID 83987245
1-[(1R,2S)-1-(1,3-benzodioxol-5-yl)-1-fluoropropan-2-yl]pyrrolidine
CID 171532316
1-[3-(1,3-benzodioxol-5-yl)butan-2-yl]pyrrolidine
CID 171532368

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine (CID 83986798) is 2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine is CCN1CCCCC1C(CN)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine?
The InChIKey is ZDGWJXLXPIWUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-18-8-4-3-5-14(18)13(10-17)12-6-7-15-16(9-12)20-11-19-15/h6-7,9,13-14H,2-5,8,10-11,17H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine?
2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine has a molecular weight of 276.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 83986798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).