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

C16H24N2O2 — CID 43584359

IUPAC2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCN(C(CN)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H24N2O2/c1-2-12-4-3-7-18(10-12)14(9-17)13-5-6-15-16(8-13)20-11-19-15/h5-6,8,12,14H,2-4,7,9-11,17H2,1H3
InChIKeyLLEVCWLWUKXRSZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.54
Rot. Bonds4

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

2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine (PubChem CID 43584359) 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-(3-ethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine
PubChem CID43584359
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCN(C(CN)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H24N2O2/c1-2-12-4-3-7-18(10-12)14(9-17)13-5-6-15-16(8-13)20-11-19-15/h5-6,8,12,14H,2-4,7,9-11,17H2,1H3
InChIKeyLLEVCWLWUKXRSZ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
CID 43584386
2-(4-ethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584286
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 61036698
2-(3-ethylpiperidin-1-yl)-2-(furan-2-yl)ethanamine
CID 43584299
[1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 55029462
2-(3-ethylpiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine
CID 114937023
2-(7-bromo-1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 43143852
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1,3-benzodioxol-5-yl)ethanamine
CID 82752184
(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 93297931
(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 93297932
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine (CID 43584359) is 2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine is CCC1CCCN(C(CN)c2ccc3c(c2)OCO3)C1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine?
The InChIKey is LLEVCWLWUKXRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-12-4-3-7-18(10-12)14(9-17)13-5-6-15-16(8-13)20-11-19-15/h5-6,8,12,14H,2-4,7,9-11,17H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine?
2-(1,3-benzodioxol-5-yl)-2-(3-ethylpiperidin-1-yl)ethanamine has a molecular weight of 276.38 g/mol, XLogP of 2.54, 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-(3-ethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 43584359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).