1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine

C27H27FN2O2 — CID 24736188

IUPAC1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3cc4cc(-c5cccc(F)c5)ccc4o3)CC2)cc1
InChIInChI=1S/C27H27FN2O2/c1-31-25-8-5-20(6-9-25)18-29-11-13-30(14-12-29)19-26-17-23-15-22(7-10-27(23)32-26)21-3-2-4-24(28)16-21/h2-10,15-17H,11-14,18-19H2,1H3
InChIKeyIIDYGTHSTVPNAN-UHFFFAOYSA-N
MW430.52 g/mol
LogP5.57
Rot. Bonds6

About 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine

1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine (PubChem CID 24736188) has the molecular formula C27H27FN2O2 and a molecular weight of 430.52 g/mol. Its IUPAC name is 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine
PubChem CID24736188
Molecular FormulaC27H27FN2O2
Molecular Weight430.52 g/mol
Exact Mass430.21
IUPAC Name1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3cc4cc(-c5cccc(F)c5)ccc4o3)CC2)cc1
InChIInChI=1S/C27H27FN2O2/c1-31-25-8-5-20(6-9-25)18-29-11-13-30(14-12-29)19-26-17-23-15-22(7-10-27(23)32-26)21-3-2-4-24(28)16-21/h2-10,15-17H,11-14,18-19H2,1H3
InChIKeyIIDYGTHSTVPNAN-UHFFFAOYSA-N
XLogP5.57
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine
CID 24736116
1-ethyl-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazine
CID 24736185
1-[(4-methoxyphenyl)methyl]-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine;hydrochloride
CID 24736258
3-[[4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 24736187
1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-(3-methoxyphenyl)sulfonyl-1,4-diazepane
CID 24737285
1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-methylsulfonyl-1,4-diazepane
CID 24737280
1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonylpiperazine
CID 24736176
1,4-bis[(3,5-difluorophenyl)methyl]-7,10-bis[[4-[4-[[4,7,10-tris[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phenyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 177488325
[4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 24737275
1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine
CID 3067874
2-(3-fluorophenyl)-6-methoxynaphthalene
CID 45156519
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole
CID 24617569

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine (CID 24736188) is 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(Cc3cc4cc(-c5cccc(F)c5)ccc4o3)CC2)cc1.
What is the InChIKey of 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine?
The InChIKey is IIDYGTHSTVPNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O2/c1-31-25-8-5-20(6-9-25)18-29-11-13-30(14-12-29)19-26-17-23-15-22(7-10-27(23)32-26)21-3-2-4-24(28)16-21/h2-10,15-17H,11-14,18-19H2,1H3.
What are the key properties of 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine?
1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine has a molecular weight of 430.52 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 24736188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).