1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine

C14H20N2O2 — CID 117374087

IUPAC1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine
SMILESCOc1ccc2c(c1CN1CCNCC1)COC2
InChIInChI=1S/C14H20N2O2/c1-17-14-3-2-11-9-18-10-13(11)12(14)8-16-6-4-15-5-7-16/h2-3,15H,4-10H2,1H3
InChIKeyMZPWBXOEZVAIOC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.13
Rot. Bonds3

About 1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine

1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine (PubChem CID 117374087) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine
PubChem CID117374087
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine
SMILESCOc1ccc2c(c1CN1CCNCC1)COC2
InChIInChI=1S/C14H20N2O2/c1-17-14-3-2-11-9-18-10-13(11)12(14)8-16-6-4-15-5-7-16/h2-3,15H,4-10H2,1H3
InChIKeyMZPWBXOEZVAIOC-UHFFFAOYSA-N
XLogP1.13
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine?
The IUPAC name of 1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine (CID 117374087) is 1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine is COc1ccc2c(c1CN1CCNCC1)COC2.
What is the InChIKey of 1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine?
The InChIKey is MZPWBXOEZVAIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-14-3-2-11-9-18-10-13(11)12(14)8-16-6-4-15-5-7-16/h2-3,15H,4-10H2,1H3.
What are the key properties of 1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine?
1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine has a molecular weight of 248.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine is sourced from PubChem (CID 117374087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).