1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine

C23H28N2O2 — CID 56678761

IUPAC1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine
SMILESCOc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1
InChIInChI=1S/C23H28N2O2/c1-26-21-9-4-6-19(16-21)7-5-11-24-12-14-25(15-13-24)18-22-17-20-8-2-3-10-23(20)27-22/h2-4,6,8-10,16-17H,5,7,11-15,18H2,1H3
InChIKeyUKEJTUFMACRNBO-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.19
Rot. Bonds7

About 1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine

1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine (PubChem CID 56678761) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine
PubChem CID56678761
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine
SMILESCOc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1
InChIInChI=1S/C23H28N2O2/c1-26-21-9-4-6-19(16-21)7-5-11-24-12-14-25(15-13-24)18-22-17-20-8-2-3-10-23(20)27-22/h2-4,6,8-10,16-17H,5,7,11-15,18H2,1H3
InChIKeyUKEJTUFMACRNBO-UHFFFAOYSA-N
XLogP4.19
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine
CID 46914775
1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine
CID 170864315
1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226
3-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 46914618
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propyl]piperidine
CID 71999972
cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone
CID 110358229
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
3-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43251514
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine (CID 56678761) is 1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine is COc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine?
The InChIKey is UKEJTUFMACRNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-26-21-9-4-6-19(16-21)7-5-11-24-12-14-25(15-13-24)18-22-17-20-8-2-3-10-23(20)27-22/h2-4,6,8-10,16-17H,5,7,11-15,18H2,1H3.
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine?
1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine has a molecular weight of 364.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine is sourced from PubChem (CID 56678761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).