1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine

C14H19FN2O2 — CID 20785363

IUPAC1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine
SMILESCOCC1Cc2cc(N3CCNCC3)c(F)cc2O1
InChIInChI=1S/C14H19FN2O2/c1-18-9-11-6-10-7-13(12(15)8-14(10)19-11)17-4-2-16-3-5-17/h7-8,11,16H,2-6,9H2,1H3
InChIKeyLYIXHSHLRKNUDJ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.19
Rot. Bonds3

About 1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine

1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine (PubChem CID 20785363) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine.

Molecular Properties

Compound Name1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine
PubChem CID20785363
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine
SMILESCOCC1Cc2cc(N3CCNCC3)c(F)cc2O1
InChIInChI=1S/C14H19FN2O2/c1-18-9-11-6-10-7-13(12(15)8-14(10)19-11)17-4-2-16-3-5-17/h7-8,11,16H,2-6,9H2,1H3
InChIKeyLYIXHSHLRKNUDJ-UHFFFAOYSA-N
XLogP1.19
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.19
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-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine?
The IUPAC name of 1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine (CID 20785363) is 1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine.
What is the SMILES notation for 1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine?
The canonical SMILES for 1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine is COCC1Cc2cc(N3CCNCC3)c(F)cc2O1.
What is the InChIKey of 1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine?
The InChIKey is LYIXHSHLRKNUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-18-9-11-6-10-7-13(12(15)8-14(10)19-11)17-4-2-16-3-5-17/h7-8,11,16H,2-6,9H2,1H3.
What are the key properties of 1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine?
1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine has a molecular weight of 266.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine is sourced from PubChem (CID 20785363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).