1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine

C14H20N2O3 — CID 117415471

IUPAC1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine
SMILESCOc1c(CCN2CCNCC2)ccc2c1OCO2
InChIInChI=1S/C14H20N2O3/c1-17-13-11(2-3-12-14(13)19-10-18-12)4-7-16-8-5-15-6-9-16/h2-3,15H,4-10H2,1H3
InChIKeyQLWZCAZAXKLARS-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.87
Rot. Bonds4

About 1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine

1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine (PubChem CID 117415471) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine
PubChem CID117415471
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine
SMILESCOc1c(CCN2CCNCC2)ccc2c1OCO2
InChIInChI=1S/C14H20N2O3/c1-17-13-11(2-3-12-14(13)19-10-18-12)4-7-16-8-5-15-6-9-16/h2-3,15H,4-10H2,1H3
InChIKeyQLWZCAZAXKLARS-UHFFFAOYSA-N
XLogP0.87
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methylsulfonyl-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117497687
1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
CID 117446437
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
CID 117446670
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine
CID 11127161
1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine
CID 117374191
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanesulfonyl chloride
CID 84714862
(4-methoxy-1,3-benzodioxol-5-yl)methanamine
CID 21294011
1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine
CID 117472279
1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
CID 83934072
1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 117465754
1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117446444

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine (CID 117415471) is 1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine is COc1c(CCN2CCNCC2)ccc2c1OCO2.
What is the InChIKey of 1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine?
The InChIKey is QLWZCAZAXKLARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-17-13-11(2-3-12-14(13)19-10-18-12)4-7-16-8-5-15-6-9-16/h2-3,15H,4-10H2,1H3.
What are the key properties of 1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine?
1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine has a molecular weight of 264.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine is sourced from PubChem (CID 117415471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).