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

C15H18N2O — CID 63019189

IUPAC1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine
SMILESC(#Cc1ccc2c(c1)COC2)CN1CCNCC1
InChIInChI=1S/C15H18N2O/c1(7-17-8-5-16-6-9-17)2-13-3-4-14-11-18-12-15(14)10-13/h3-4,10,16H,5-9,11-12H2
InChIKeyAARAAWLOUNEVTF-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.97
Rot. Bonds1

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

1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine (PubChem CID 63019189) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine.

Molecular Properties

Compound Name1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine
PubChem CID63019189
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine
SMILESC(#Cc1ccc2c(c1)COC2)CN1CCNCC1
InChIInChI=1S/C15H18N2O/c1(7-17-8-5-16-6-9-17)2-13-3-4-14-11-18-12-15(14)10-13/h3-4,10,16H,5-9,11-12H2
InChIKeyAARAAWLOUNEVTF-UHFFFAOYSA-N
XLogP0.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine?
The IUPAC name of 1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine (CID 63019189) is 1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine.
What is the SMILES notation for 1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine?
The canonical SMILES for 1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine is C(#Cc1ccc2c(c1)COC2)CN1CCNCC1.
What is the InChIKey of 1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine?
The InChIKey is AARAAWLOUNEVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1(7-17-8-5-16-6-9-17)2-13-3-4-14-11-18-12-15(14)10-13/h3-4,10,16H,5-9,11-12H2.
What are the key properties of 1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine?
1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine has a molecular weight of 242.32 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine is sourced from PubChem (CID 63019189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).