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

C13H17FN2O — CID 66365445

IUPAC1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
SMILESFc1ccc2c(c1)CC(CN1CCNCC1)O2
InChIInChI=1S/C13H17FN2O/c14-11-1-2-13-10(7-11)8-12(17-13)9-16-5-3-15-4-6-16/h1-2,7,12,15H,3-6,8-9H2
InChIKeyBGRQYFCRHMPFLO-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.03
Rot. Bonds2

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

1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine (PubChem CID 66365445) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
PubChem CID66365445
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
SMILESFc1ccc2c(c1)CC(CN1CCNCC1)O2
InChIInChI=1S/C13H17FN2O/c14-11-1-2-13-10(7-11)8-12(17-13)9-16-5-3-15-4-6-16/h1-2,7,12,15H,3-6,8-9H2
InChIKeyBGRQYFCRHMPFLO-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine?
The IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine (CID 66365445) is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine is Fc1ccc2c(c1)CC(CN1CCNCC1)O2.
What is the InChIKey of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine?
The InChIKey is BGRQYFCRHMPFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-1-2-13-10(7-11)8-12(17-13)9-16-5-3-15-4-6-16/h1-2,7,12,15H,3-6,8-9H2.
What are the key properties of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine?
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine has a molecular weight of 236.29 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine is sourced from PubChem (CID 66365445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).