1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine

C20H28N4OS — CID 111029042

IUPAC1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine
SMILESCOc1ccccc1N/C(N)=N/CC(c1cccs1)N1CCC(C)CC1
InChIInChI=1S/C20H28N4OS/c1-15-9-11-24(12-10-15)17(19-8-5-13-26-19)14-22-20(21)23-16-6-3-4-7-18(16)25-2/h3-8,13,15,17H,9-12,14H2,1-2H3,(H3,21,22,23)
InChIKeyJMSDRWSWUWBQFD-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.96
Rot. Bonds6

About 1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine

1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine (PubChem CID 111029042) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine
PubChem CID111029042
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine
SMILESCOc1ccccc1N/C(N)=N/CC(c1cccs1)N1CCC(C)CC1
InChIInChI=1S/C20H28N4OS/c1-15-9-11-24(12-10-15)17(19-8-5-13-26-19)14-22-20(21)23-16-6-3-4-7-18(16)25-2/h3-8,13,15,17H,9-12,14H2,1-2H3,(H3,21,22,23)
InChIKeyJMSDRWSWUWBQFD-UHFFFAOYSA-N
XLogP3.96
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111029043
2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-propan-2-ylguanidine
CID 111029058
2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111029057
1-(2-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111096007
N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide
CID 111029048
2-methoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006364
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030682
1-(4-methylphenyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111029850
1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 75419855
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-(2-methoxyphenyl)guanidine
CID 111056121
1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111027009

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine?
The IUPAC name of 1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine (CID 111029042) is 1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine is COc1ccccc1N/C(N)=N/CC(c1cccs1)N1CCC(C)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine?
The InChIKey is JMSDRWSWUWBQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-15-9-11-24(12-10-15)17(19-8-5-13-26-19)14-22-20(21)23-16-6-3-4-7-18(16)25-2/h3-8,13,15,17H,9-12,14H2,1-2H3,(H3,21,22,23).
What are the key properties of 1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine?
1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine has a molecular weight of 372.54 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine is sourced from PubChem (CID 111029042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).