1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine

C20H26N2O2S — CID 126796012

IUPAC1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine
SMILESCC(NCC1CCN(Cc2cccs2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H26N2O2S/c1-15(17-4-5-19-20(11-17)24-14-23-19)21-12-16-6-8-22(9-7-16)13-18-3-2-10-25-18/h2-5,10-11,15-16,21H,6-9,12-14H2,1H3
InChIKeyUHFGBJGEPURIDD-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.04
Rot. Bonds6

About 1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine

1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 126796012) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine
PubChem CID126796012
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine
SMILESCC(NCC1CCN(Cc2cccs2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H26N2O2S/c1-15(17-4-5-19-20(11-17)24-14-23-19)21-12-16-6-8-22(9-7-16)13-18-3-2-10-25-18/h2-5,10-11,15-16,21H,6-9,12-14H2,1H3
InChIKeyUHFGBJGEPURIDD-UHFFFAOYSA-N
XLogP4.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine with MolForge

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Related Compounds

1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 48964603
1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
CID 43298420
2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591872
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111379888
1-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine
CID 2838574
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49260949
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol
CID 66006062
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 43689424
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271544
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
2-(5-methylthiophen-2-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49055900
1-(1,3-benzodioxol-5-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833988

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine (CID 126796012) is 1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine is CC(NCC1CCN(Cc2cccs2)CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is UHFGBJGEPURIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15(17-4-5-19-20(11-17)24-14-23-19)21-12-16-6-8-22(9-7-16)13-18-3-2-10-25-18/h2-5,10-11,15-16,21H,6-9,12-14H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine?
1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 358.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 126796012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).