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

C15H24N4O — CID 75419855

IUPAC1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
SMILESCOc1ccccc1N/C(N)=N/CC1CCN(C)CC1
InChIInChI=1S/C15H24N4O/c1-19-9-7-12(8-10-19)11-17-15(16)18-13-5-3-4-6-14(13)20-2/h3-6,12H,7-11H2,1-2H3,(H3,16,17,18)
InChIKeyRMYBTLYIZLSUFN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds4

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

1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine (PubChem CID 75419855) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
PubChem CID75419855
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
SMILESCOc1ccccc1N/C(N)=N/CC1CCN(C)CC1
InChIInChI=1S/C15H24N4O/c1-19-9-7-12(8-10-19)11-17-15(16)18-13-5-3-4-6-14(13)20-2/h3-6,12H,7-11H2,1-2H3,(H3,16,17,18)
InChIKeyRMYBTLYIZLSUFN-UHFFFAOYSA-N
XLogP1.76
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

tert-butyl 4-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111062979
1-(3-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086732
2-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-1-(2-methoxyphenyl)guanidine
CID 111094778
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111805788
1-(2,5-dimethoxyphenyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065745
1-(2,5-dimethoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111084546
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111088824
1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 111076580
2-[(1,4-dimethylpiperazin-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 119955508
2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111803748
2-[3-(4-benzylpiperazin-1-yl)propyl]-1-(2-methoxyphenyl)guanidine
CID 111059105

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine?
The IUPAC name of 1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine (CID 75419855) is 1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine is COc1ccccc1N/C(N)=N/CC1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine?
The InChIKey is RMYBTLYIZLSUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-19-9-7-12(8-10-19)11-17-15(16)18-13-5-3-4-6-14(13)20-2/h3-6,12H,7-11H2,1-2H3,(H3,16,17,18).
What are the key properties of 1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine?
1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine has a molecular weight of 276.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine is sourced from PubChem (CID 75419855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).