1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine

C19H20N2O — CID 22914746

IUPAC1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(Cc3coc4ccccc34)CC2)cc1
InChIInChI=1S/C19H20N2O/c1-2-6-17(7-3-1)21-12-10-20(11-13-21)14-16-15-22-19-9-5-4-8-18(16)19/h1-9,15H,10-14H2
InChIKeyMXMDGGRURURART-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.76
Rot. Bonds3

About 1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine

1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine (PubChem CID 22914746) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine
PubChem CID22914746
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(Cc3coc4ccccc34)CC2)cc1
InChIInChI=1S/C19H20N2O/c1-2-6-17(7-3-1)21-12-10-20(11-13-21)14-16-15-22-19-9-5-4-8-18(16)19/h1-9,15H,10-14H2
InChIKeyMXMDGGRURURART-UHFFFAOYSA-N
XLogP3.76
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 14198563
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CID 14960345
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CID 10692539
CID 10692539
CID 14960340
CID 14960340
CID 45261095
CID 45261095
CID 45261097
CID 45261097
CID 45261116
CID 45261116
CID 137643139
CID 137643139
CID 2467896
CID 2467896
CID 2546081
CID 2546081
CID 10088157
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CID 10247055
CID 10247055

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine?
The IUPAC name of 1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine (CID 22914746) is 1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine?
The canonical SMILES for 1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine is c1ccc(N2CCN(Cc3coc4ccccc34)CC2)cc1.
What is the InChIKey of 1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine?
The InChIKey is MXMDGGRURURART-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-6-17(7-3-1)21-12-10-20(11-13-21)14-16-15-22-19-9-5-4-8-18(16)19/h1-9,15H,10-14H2.
What are the key properties of 1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine?
1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine has a molecular weight of 292.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-ylmethyl)-4-phenylpiperazine is sourced from PubChem (CID 22914746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).