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

C13H17FN2O — CID 117199662

IUPAC1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine
SMILESFc1cccc2c1C(CN1CCNCC1)CO2
InChIInChI=1S/C13H17FN2O/c14-11-2-1-3-12-13(11)10(9-17-12)8-16-6-4-15-5-7-16/h1-3,10,15H,4-9H2
InChIKeyJTEZUNAFWOMXKQ-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.21
Rot. Bonds2

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

1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine (PubChem CID 117199662) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine
PubChem CID117199662
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine
SMILESFc1cccc2c1C(CN1CCNCC1)CO2
InChIInChI=1S/C13H17FN2O/c14-11-2-1-3-12-13(11)10(9-17-12)8-16-6-4-15-5-7-16/h1-3,10,15H,4-9H2
InChIKeyJTEZUNAFWOMXKQ-UHFFFAOYSA-N
XLogP1.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine?
The IUPAC name of 1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine (CID 117199662) is 1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine is Fc1cccc2c1C(CN1CCNCC1)CO2.
What is the InChIKey of 1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine?
The InChIKey is JTEZUNAFWOMXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-2-1-3-12-13(11)10(9-17-12)8-16-6-4-15-5-7-16/h1-3,10,15H,4-9H2.
What are the key properties of 1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine?
1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine has a molecular weight of 236.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine is sourced from PubChem (CID 117199662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).