1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine

C14H20N2O2 — CID 70905419

IUPAC1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine
SMILESCCN1CCN(Cc2cccc3c2OCO3)CC1
InChIInChI=1S/C14H20N2O2/c1-2-15-6-8-16(9-7-15)10-12-4-3-5-13-14(12)18-11-17-13/h3-5H,2,6-11H2,1H3
InChIKeyDWYPOWKDLQQCBG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.55
Rot. Bonds3

About 1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine

1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine (PubChem CID 70905419) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine
PubChem CID70905419
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine
SMILESCCN1CCN(Cc2cccc3c2OCO3)CC1
InChIInChI=1S/C14H20N2O2/c1-2-15-6-8-16(9-7-15)10-12-4-3-5-13-14(12)18-11-17-13/h3-5H,2,6-11H2,1H3
InChIKeyDWYPOWKDLQQCBG-UHFFFAOYSA-N
XLogP1.55
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110849867
1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methylphenyl)piperazine
CID 3495000
1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine
CID 4992251
N-(1,3-benzodioxol-4-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855681
1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113753
6-[4-(1,3-benzodioxol-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine
CID 67519518
2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
CID 98582976
2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 93233456
(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129331530
N-(1,3-benzodioxol-4-ylmethyl)-1-[(2-methylphenyl)methyl]piperidin-4-amine
CID 56796579
4-(bromomethyl)-1,3-benzodioxole
CID 22505967
6-(1,3-benzodioxol-4-ylmethyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 128994628

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine?
The IUPAC name of 1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine (CID 70905419) is 1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine?
The canonical SMILES for 1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine is CCN1CCN(Cc2cccc3c2OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine?
The InChIKey is DWYPOWKDLQQCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-15-6-8-16(9-7-15)10-12-4-3-5-13-14(12)18-11-17-13/h3-5H,2,6-11H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine?
1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine has a molecular weight of 248.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine is sourced from PubChem (CID 70905419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).