1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine

C15H22N2O2 — CID 117410722

IUPAC1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
SMILESCCc1cc2c(cc1CN1CCNCC1)OCCO2
InChIInChI=1S/C15H22N2O2/c1-2-12-9-14-15(19-8-7-18-14)10-13(12)11-17-5-3-16-4-6-17/h9-10,16H,2-8,11H2,1H3
InChIKeyLBQRQJSSUCHJOS-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.43
Rot. Bonds3

About 1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine

1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine (PubChem CID 117410722) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
PubChem CID117410722
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
SMILESCCc1cc2c(cc1CN1CCNCC1)OCCO2
InChIInChI=1S/C15H22N2O2/c1-2-12-9-14-15(19-8-7-18-14)10-13(12)11-17-5-3-16-4-6-17/h9-10,16H,2-8,11H2,1H3
InChIKeyLBQRQJSSUCHJOS-UHFFFAOYSA-N
XLogP1.43
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine
CID 117410914
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazine
CID 23289937
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
1-[(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methyl]piperazine
CID 117454652
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone
CID 98020112
1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine
CID 117442969
1-[(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 117454647
1-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]piperazine
CID 117395460
7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
CID 23557921
1-[(3-chloro-5-ethyl-2-fluorophenyl)methyl]piperazine
CID 117395459

Frequently Asked Questions

What is the IUPAC name of 1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine?
The IUPAC name of 1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine (CID 117410722) is 1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine.
What is the SMILES notation for 1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine?
The canonical SMILES for 1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine is CCc1cc2c(cc1CN1CCNCC1)OCCO2.
What is the InChIKey of 1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine?
The InChIKey is LBQRQJSSUCHJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-12-9-14-15(19-8-7-18-14)10-13(12)11-17-5-3-16-4-6-17/h9-10,16H,2-8,11H2,1H3.
What are the key properties of 1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine?
1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine has a molecular weight of 262.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine is sourced from PubChem (CID 117410722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).