N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine

C17H26N2O2 — CID 43689421

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCC(NC(C)C1CCN(C)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H26N2O2/c1-12(14-6-8-19(3)9-7-14)18-13(2)15-4-5-16-17(10-15)21-11-20-16/h4-5,10,12-14,18H,6-9,11H2,1-3H3
InChIKeyOPZDZGNSMFTTTR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.80
Rot. Bonds4

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 43689421) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
PubChem CID43689421
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCC(NC(C)C1CCN(C)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H26N2O2/c1-12(14-6-8-19(3)9-7-14)18-13(2)15-4-5-16-17(10-15)21-11-20-16/h4-5,10,12-14,18H,6-9,11H2,1-3H3
InChIKeyOPZDZGNSMFTTTR-UHFFFAOYSA-N
XLogP2.80
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 54863063
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 63990132
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 43689424
(1S)-1-(1,3-benzodioxol-5-yl)-N-chloroethanamine
CID 118697739
1-(1,3-benzodioxol-5-yl)-N-methylethanamine
CID 6424509
4-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]ethyl]phenol
CID 43689442
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
CID 43190395
1-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81355040
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675884
1-cyclohexyl-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 62405191
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methylbutan-1-ol
CID 79254425
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine (CID 43689421) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine is CC(NC(C)C1CCN(C)CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is OPZDZGNSMFTTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(14-6-8-19(3)9-7-14)18-13(2)15-4-5-16-17(10-15)21-11-20-16/h4-5,10,12-14,18H,6-9,11H2,1-3H3.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 290.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 43689421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).