1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine

C18H30N4O2 — CID 111056619

IUPAC1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CC(C)N2CCCC(C)C2)c1
InChIInChI=1S/C18H30N4O2/c1-13-6-5-9-22(12-13)14(2)11-20-18(19)21-16-10-15(23-3)7-8-17(16)24-4/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H3,19,20,21)
InChIKeyHYBQWMZISHJDAB-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.55
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine

1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111056619) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111056619
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CC(C)N2CCCC(C)C2)c1
InChIInChI=1S/C18H30N4O2/c1-13-6-5-9-22(12-13)14(2)11-20-18(19)21-16-10-15(23-3)7-8-17(16)24-4/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H3,19,20,21)
InChIKeyHYBQWMZISHJDAB-UHFFFAOYSA-N
XLogP2.55
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.55
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-[2-(azepan-1-yl)-3-methylbutyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111042316
1-(2,5-dimethoxyphenyl)-2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047419
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111067352
1-(2,5-dimethoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111096057
1-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111056693
1-(3-ethylphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111056610
1-(2,5-dimethoxyphenyl)-2-(4-methylpentyl)guanidine;hydroiodide
CID 111054914
1-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]guanidine;hydroiodide
CID 111814537
1-(2,5-dimethoxyphenyl)-2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047075
1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 111076580
1-(2,5-dimethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]guanidine
CID 122097343
1-(2,5-dimethoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058327

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine (CID 111056619) is 1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine is COc1ccc(OC)c(N/C(N)=N/CC(C)N2CCCC(C)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is HYBQWMZISHJDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13-6-5-9-22(12-13)14(2)11-20-18(19)21-16-10-15(23-3)7-8-17(16)24-4/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H3,19,20,21).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine?
1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 334.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111056619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).