1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine

C13H18N2O — CID 3159664

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
SMILESc1ccc2c(c1)CC(CN1CCNCC1)O2
InChIInChI=1S/C13H18N2O/c1-2-4-13-11(3-1)9-12(16-13)10-15-7-5-14-6-8-15/h1-4,12,14H,5-10H2
InChIKeyDNZIVLPHTKLWQR-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.90
Rot. Bonds2

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

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine (PubChem CID 3159664) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
PubChem CID3159664
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
SMILESc1ccc2c(c1)CC(CN1CCNCC1)O2
InChIInChI=1S/C13H18N2O/c1-2-4-13-11(3-1)9-12(16-13)10-15-7-5-14-6-8-15/h1-4,12,14H,5-10H2
InChIKeyDNZIVLPHTKLWQR-UHFFFAOYSA-N
XLogP0.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine (CID 3159664) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine is c1ccc2c(c1)CC(CN1CCNCC1)O2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine?
The InChIKey is DNZIVLPHTKLWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-4-13-11(3-1)9-12(16-13)10-15-7-5-14-6-8-15/h1-4,12,14H,5-10H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine has a molecular weight of 218.30 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 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)piperazine is sourced from PubChem (CID 3159664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).