1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride

C13H20Cl2N2O — CID 71758143

IUPAC1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride
SMILESCl.Cl.c1cc2c(cc1CN1CCNCC1)COC2
InChIInChI=1S/C13H18N2O.2ClH/c1-2-12-9-16-10-13(12)7-11(1)8-15-5-3-14-4-6-15;;/h1-2,7,14H,3-6,8-10H2;2*1H
InChIKeyYJDANRMJLBKQRS-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.97
Rot. Bonds2

About 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride

1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride (PubChem CID 71758143) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride
PubChem CID71758143
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride
SMILESCl.Cl.c1cc2c(cc1CN1CCNCC1)COC2
InChIInChI=1S/C13H18N2O.2ClH/c1-2-12-9-16-10-13(12)7-11(1)8-15-5-3-14-4-6-15;;/h1-2,7,14H,3-6,8-10H2;2*1H
InChIKeyYJDANRMJLBKQRS-UHFFFAOYSA-N
XLogP1.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride (CID 71758143) is 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride is Cl.Cl.c1cc2c(cc1CN1CCNCC1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride?
The InChIKey is YJDANRMJLBKQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.2ClH/c1-2-12-9-16-10-13(12)7-11(1)8-15-5-3-14-4-6-15;;/h1-2,7,14H,3-6,8-10H2;2*1H.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride?
1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride has a molecular weight of 291.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazine;dihydrochloride is sourced from PubChem (CID 71758143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).