N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine

C19H24N2O3S — CID 131903197

IUPACN-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCOc1cc2c(cc1CNC1CCN(Cc3cccs3)CC1)OCO2
InChIInChI=1S/C19H24N2O3S/c1-22-17-10-19-18(23-13-24-19)9-14(17)11-20-15-4-6-21(7-5-15)12-16-3-2-8-25-16/h2-3,8-10,15,20H,4-7,11-13H2,1H3
InChIKeyYLTNHURRYSHVOA-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.24
Rot. Bonds6

About N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine

N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine (PubChem CID 131903197) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine
PubChem CID131903197
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCOc1cc2c(cc1CNC1CCN(Cc3cccs3)CC1)OCO2
InChIInChI=1S/C19H24N2O3S/c1-22-17-10-19-18(23-13-24-19)9-14(17)11-20-15-4-6-21(7-5-15)12-16-3-2-8-25-16/h2-3,8-10,15,20H,4-7,11-13H2,1H3
InChIKeyYLTNHURRYSHVOA-UHFFFAOYSA-N
XLogP3.24
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine (CID 131903197) is N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine is COc1cc2c(cc1CNC1CCN(Cc3cccs3)CC1)OCO2.
What is the InChIKey of N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine?
The InChIKey is YLTNHURRYSHVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-22-17-10-19-18(23-13-24-19)9-14(17)11-20-15-4-6-21(7-5-15)12-16-3-2-8-25-16/h2-3,8-10,15,20H,4-7,11-13H2,1H3.
What are the key properties of N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine?
N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine has a molecular weight of 360.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 131903197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).