1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine

C16H23N3O2 — CID 61441471

IUPAC1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
SMILESNC(CN1CCN(C2CC2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H23N3O2/c17-14(12-1-4-15-16(9-12)21-11-20-15)10-18-5-7-19(8-6-18)13-2-3-13/h1,4,9,13-14H,2-3,5-8,10-11,17H2
InChIKeyMULGDXHSKATFJR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.20
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine

1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine (PubChem CID 61441471) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
PubChem CID61441471
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
SMILESNC(CN1CCN(C2CC2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H23N3O2/c17-14(12-1-4-15-16(9-12)21-11-20-15)10-18-5-7-19(8-6-18)13-2-3-13/h1,4,9,13-14H,2-3,5-8,10-11,17H2
InChIKeyMULGDXHSKATFJR-UHFFFAOYSA-N
XLogP1.20
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide
CID 16783727
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine
CID 16788978
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride
CID 171216786
1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
CID 54944825
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 115559534
1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163944
1-(1,3-benzodioxol-5-yl)-2-(1,2,4-triazol-1-yl)ethanamine
CID 16788265
1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 60979825
1-(1,3-benzodioxol-5-yl)-3-methylbutan-1-amine
CID 82048703
1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine
CID 16796104
1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 16793669

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine (CID 61441471) is 1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine is NC(CN1CCN(C2CC2)CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine?
The InChIKey is MULGDXHSKATFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-14(12-1-4-15-16(9-12)21-11-20-15)10-18-5-7-19(8-6-18)13-2-3-13/h1,4,9,13-14H,2-3,5-8,10-11,17H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine?
1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine has a molecular weight of 289.38 g/mol, XLogP of 1.20, 4 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)-2-(4-cyclopropylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 61441471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).