1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine

C25H24N2O — CID 123869857

IUPAC1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4o3)cc2)c(CN2CCNCC2)c1
InChIInChI=1S/C25H24N2O/c1-3-7-23(22(6-1)18-27-15-13-26-14-16-27)19-9-11-20(12-10-19)25-17-21-5-2-4-8-24(21)28-25/h1-12,17,26H,13-16,18H2
InChIKeyDSKQTABUXYRIRQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.17
Rot. Bonds4

About 1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine

1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine (PubChem CID 123869857) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine
PubChem CID123869857
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4o3)cc2)c(CN2CCNCC2)c1
InChIInChI=1S/C25H24N2O/c1-3-7-23(22(6-1)18-27-15-13-26-14-16-27)19-9-11-20(12-10-19)25-17-21-5-2-4-8-24(21)28-25/h1-12,17,26H,13-16,18H2
InChIKeyDSKQTABUXYRIRQ-UHFFFAOYSA-N
XLogP5.17
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzofuran-2-yl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63092011
1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine
CID 90732660
2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran
CID 143851022
1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
CID 91111204
4-(1-benzofuran-2-yl)-6-(piperazin-1-ylmethyl)isoquinoline
CID 122457812
2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione
CID 139959109
(5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
CID 59515473
8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline
CID 91803359
2-[2-(iodomethyl)phenyl]-1-benzofuran
CID 146186545
2-methyl-4-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 82510160
2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146183190
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine (CID 123869857) is 1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine is c1ccc(-c2ccc(-c3cc4ccccc4o3)cc2)c(CN2CCNCC2)c1.
What is the InChIKey of 1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine?
The InChIKey is DSKQTABUXYRIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-3-7-23(22(6-1)18-27-15-13-26-14-16-27)19-9-11-20(12-10-19)25-17-21-5-2-4-8-24(21)28-25/h1-12,17,26H,13-16,18H2.
What are the key properties of 1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine?
1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine has a molecular weight of 368.48 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine is sourced from PubChem (CID 123869857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).