1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine

C14H20N2O2 — CID 20785291

IUPAC1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine
SMILESCOCC1Cc2cc(N3CCNCC3)ccc2O1
InChIInChI=1S/C14H20N2O2/c1-17-10-13-9-11-8-12(2-3-14(11)18-13)16-6-4-15-5-7-16/h2-3,8,13,15H,4-7,9-10H2,1H3
InChIKeyHXXWQGPFTCUMRG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.05
Rot. Bonds3

About 1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine

1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine (PubChem CID 20785291) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine
PubChem CID20785291
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine
SMILESCOCC1Cc2cc(N3CCNCC3)ccc2O1
InChIInChI=1S/C14H20N2O2/c1-17-10-13-9-11-8-12(2-3-14(11)18-13)16-6-4-15-5-7-16/h2-3,8,13,15H,4-7,9-10H2,1H3
InChIKeyHXXWQGPFTCUMRG-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine?
The IUPAC name of 1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine (CID 20785291) is 1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine.
What is the SMILES notation for 1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine?
The canonical SMILES for 1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine is COCC1Cc2cc(N3CCNCC3)ccc2O1.
What is the InChIKey of 1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine?
The InChIKey is HXXWQGPFTCUMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-10-13-9-11-8-12(2-3-14(11)18-13)16-6-4-15-5-7-16/h2-3,8,13,15H,4-7,9-10H2,1H3.
What are the key properties of 1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine?
1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine has a molecular weight of 248.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine is sourced from PubChem (CID 20785291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).