1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine

C16H20N2O — CID 14960342

IUPAC1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine
SMILESc1cc(N2CCN(CC3CC3)CC2)c2occc2c1
InChIInChI=1S/C16H20N2O/c1-2-14-6-11-19-16(14)15(3-1)18-9-7-17(8-10-18)12-13-4-5-13/h1-3,6,11,13H,4-5,7-10,12H2
InChIKeyQNQBPFKLNPYXFW-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.96
Rot. Bonds3

About 1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine

1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine (PubChem CID 14960342) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine
PubChem CID14960342
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine
SMILESc1cc(N2CCN(CC3CC3)CC2)c2occc2c1
InChIInChI=1S/C16H20N2O/c1-2-14-6-11-19-16(14)15(3-1)18-9-7-17(8-10-18)12-13-4-5-13/h1-3,6,11,13H,4-5,7-10,12H2
InChIKeyQNQBPFKLNPYXFW-UHFFFAOYSA-N
XLogP2.96
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine?
The IUPAC name of 1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine (CID 14960342) is 1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine.
What is the SMILES notation for 1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine?
The canonical SMILES for 1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine is c1cc(N2CCN(CC3CC3)CC2)c2occc2c1.
What is the InChIKey of 1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine?
The InChIKey is QNQBPFKLNPYXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-14-6-11-19-16(14)15(3-1)18-9-7-17(8-10-18)12-13-4-5-13/h1-3,6,11,13H,4-5,7-10,12H2.
What are the key properties of 1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine?
1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine has a molecular weight of 256.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine is sourced from PubChem (CID 14960342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).