1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine

C20H21ClN2O2 — CID 3067874

IUPAC1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine
SMILESCOc1ccc2oc(CN3CCN(c4cccc(Cl)c4)CC3)cc2c1
InChIInChI=1S/C20H21ClN2O2/c1-24-18-5-6-20-15(11-18)12-19(25-20)14-22-7-9-23(10-8-22)17-4-2-3-16(21)13-17/h2-6,11-13H,7-10,14H2,1H3
InChIKeyDGZHFYBDAUXVDH-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.42
Rot. Bonds4

About 1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine

1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine (PubChem CID 3067874) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine
PubChem CID3067874
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine
SMILESCOc1ccc2oc(CN3CCN(c4cccc(Cl)c4)CC3)cc2c1
InChIInChI=1S/C20H21ClN2O2/c1-24-18-5-6-20-15(11-18)12-19(25-20)14-22-7-9-23(10-8-22)17-4-2-3-16(21)13-17/h2-6,11-13H,7-10,14H2,1H3
InChIKeyDGZHFYBDAUXVDH-UHFFFAOYSA-N
XLogP4.42
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 56819748
3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]aniline
CID 28800345
1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 24736188
1-[(4-methoxyphenyl)methyl]-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazine
CID 24736116
5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 78808140
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-[(4-butoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 2244902
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1377032
1-[(5-methoxy-1-benzofuran-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125323
[5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
CID 62424244
1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine
CID 1375734
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 55591666

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine (CID 3067874) is 1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine is COc1ccc2oc(CN3CCN(c4cccc(Cl)c4)CC3)cc2c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine?
The InChIKey is DGZHFYBDAUXVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-24-18-5-6-20-15(11-18)12-19(25-20)14-22-7-9-23(10-8-22)17-4-2-3-16(21)13-17/h2-6,11-13H,7-10,14H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine?
1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine has a molecular weight of 356.85 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine is sourced from PubChem (CID 3067874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).