1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine

C15H22N2O2 — CID 117410914

IUPAC1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine
SMILESCc1c(CN2CCNCC2)cc2c(c1C)OCCO2
InChIInChI=1S/C15H22N2O2/c1-11-12(2)15-14(18-7-8-19-15)9-13(11)10-17-5-3-16-4-6-17/h9,16H,3-8,10H2,1-2H3
InChIKeyWHCVKZIZHWEXKJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.48
Rot. Bonds2

About 1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine

1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine (PubChem CID 117410914) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine
PubChem CID117410914
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine
SMILESCc1c(CN2CCNCC2)cc2c(c1C)OCCO2
InChIInChI=1S/C15H22N2O2/c1-11-12(2)15-14(18-7-8-19-15)9-13(11)10-17-5-3-16-4-6-17/h9,16H,3-8,10H2,1-2H3
InChIKeyWHCVKZIZHWEXKJ-UHFFFAOYSA-N
XLogP1.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 117410722
1-[(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]piperazine
CID 117478248
1-[(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 117454647
4-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117408323
2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid
CID 117317862
1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117442959
O-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117298626
1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)methyl]piperazine
CID 117425558
1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117446444
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazine
CID 23289937
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
CID 84788709
2-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidine
CID 117371404

Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine?
The IUPAC name of 1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine (CID 117410914) is 1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine?
The canonical SMILES for 1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine is Cc1c(CN2CCNCC2)cc2c(c1C)OCCO2.
What is the InChIKey of 1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine?
The InChIKey is WHCVKZIZHWEXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-12(2)15-14(18-7-8-19-15)9-13(11)10-17-5-3-16-4-6-17/h9,16H,3-8,10H2,1-2H3.
What are the key properties of 1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine?
1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine has a molecular weight of 262.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine is sourced from PubChem (CID 117410914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).