1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine

C16H22N2O — CID 162649232

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CC2Cc3ccccc3O2)CC1
InChIInChI=1S/C16H22N2O/c1-2-7-17-8-10-18(11-9-17)13-15-12-14-5-3-4-6-16(14)19-15/h2-6,15H,1,7-13H2
InChIKeyHSARQPUYOMNEIJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.79
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine (PubChem CID 162649232) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine
PubChem CID162649232
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CC2Cc3ccccc3O2)CC1
InChIInChI=1S/C16H22N2O/c1-2-7-17-8-10-18(11-9-17)13-15-12-14-5-3-4-6-16(14)19-15/h2-6,15H,1,7-13H2
InChIKeyHSARQPUYOMNEIJ-UHFFFAOYSA-N
XLogP1.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine (CID 162649232) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine is C=CCN1CCN(CC2Cc3ccccc3O2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine?
The InChIKey is HSARQPUYOMNEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-7-17-8-10-18(11-9-17)13-15-12-14-5-3-4-6-16(14)19-15/h2-6,15H,1,7-13H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine has a molecular weight of 258.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine is sourced from PubChem (CID 162649232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).