1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine

C18H28N4O2 — CID 120663010

IUPAC1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
SMILESCOc1ccc(N/C(N)=N/C2CC(N3CCCCC3)C2)cc1OC
InChIInChI=1S/C18H28N4O2/c1-23-16-7-6-13(12-17(16)24-2)20-18(19)21-14-10-15(11-14)22-8-4-3-5-9-22/h6-7,12,14-15H,3-5,8-11H2,1-2H3,(H3,19,20,21)
InChIKeyMPEHHEWDWBFIAH-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.45
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine

1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine (PubChem CID 120663010) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
PubChem CID120663010
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
SMILESCOc1ccc(N/C(N)=N/C2CC(N3CCCCC3)C2)cc1OC
InChIInChI=1S/C18H28N4O2/c1-23-16-7-6-13(12-17(16)24-2)20-18(19)21-14-10-15(11-14)22-8-4-3-5-9-22/h6-7,12,14-15H,3-5,8-11H2,1-2H3,(H3,19,20,21)
InChIKeyMPEHHEWDWBFIAH-UHFFFAOYSA-N
XLogP2.45
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.45
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

2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine
CID 119146747
1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120663034
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide
CID 120662989
2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 119146746
1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120662966
1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine
CID 111069220
2-(3-piperidin-1-ylcyclobutyl)-1-[3-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 120663019
2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 120671766
1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine
CID 110032364
1-(3-methoxyphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine
CID 120662544
1-(3,4-dimethoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074678
1-(3,4-dimethoxyphenyl)-2-methylguanidine
CID 62381082

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine (CID 120663010) is 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine is COc1ccc(N/C(N)=N/C2CC(N3CCCCC3)C2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine?
The InChIKey is MPEHHEWDWBFIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-23-16-7-6-13(12-17(16)24-2)20-18(19)21-14-10-15(11-14)22-8-4-3-5-9-22/h6-7,12,14-15H,3-5,8-11H2,1-2H3,(H3,19,20,21).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine?
1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine has a molecular weight of 332.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine is sourced from PubChem (CID 120663010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).