1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine

C18H19N3O — CID 120767732

IUPAC1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine
SMILESc1cncc(C2CNCCN2Cc2cc3ccccc3o2)c1
InChIInChI=1S/C18H19N3O/c1-2-6-18-14(4-1)10-16(22-18)13-21-9-8-20-12-17(21)15-5-3-7-19-11-15/h1-7,10-11,17,20H,8-9,12-13H2
InChIKeyGNMGKGRSNBKGNQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.97
Rot. Bonds3

About 1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine

1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine (PubChem CID 120767732) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine
PubChem CID120767732
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine
SMILESc1cncc(C2CNCCN2Cc2cc3ccccc3o2)c1
InChIInChI=1S/C18H19N3O/c1-2-6-18-14(4-1)10-16(22-18)13-21-9-8-20-12-17(21)15-5-3-7-19-11-15/h1-7,10-11,17,20H,8-9,12-13H2
InChIKeyGNMGKGRSNBKGNQ-UHFFFAOYSA-N
XLogP2.97
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-1-benzofuran-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767778
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767944
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120754795
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine (CID 120767732) is 1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine is c1cncc(C2CNCCN2Cc2cc3ccccc3o2)c1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine?
The InChIKey is GNMGKGRSNBKGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-6-18-14(4-1)10-16(22-18)13-21-9-8-20-12-17(21)15-5-3-7-19-11-15/h1-7,10-11,17,20H,8-9,12-13H2.
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine?
1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine has a molecular weight of 293.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120767732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).