1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine

C21H36N4O2 — CID 109404887

IUPAC1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine
SMILESC/N=C(\NCCOCc1ccccc1OC)NC1CCN(CC(C)C)CC1
InChIInChI=1S/C21H36N4O2/c1-17(2)15-25-12-9-19(10-13-25)24-21(22-3)23-11-14-27-16-18-7-5-6-8-20(18)26-4/h5-8,17,19H,9-16H2,1-4H3,(H2,22,23,24)
InChIKeyGGILWMAMUIXKOT-UHFFFAOYSA-N
MW376.55 g/mol
LogP2.50
Rot. Bonds9

About 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine

1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine (PubChem CID 109404887) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine.

Molecular Properties

Compound Name1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine
PubChem CID109404887
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine
SMILESC/N=C(\NCCOCc1ccccc1OC)NC1CCN(CC(C)C)CC1
InChIInChI=1S/C21H36N4O2/c1-17(2)15-25-12-9-19(10-13-25)24-21(22-3)23-11-14-27-16-18-7-5-6-8-20(18)26-4/h5-8,17,19H,9-16H2,1-4H3,(H2,22,23,24)
InChIKeyGGILWMAMUIXKOT-UHFFFAOYSA-N
XLogP2.50
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
CID 109400680
1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
CID 109406243
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine
CID 109404905
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109405439
1-(1-benzylpiperidin-4-yl)-2-methyl-3-(2-phenylmethoxyethyl)guanidine
CID 111963989
1-tert-butyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine
CID 109400727
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 109406818
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 109402584
1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109400878
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 109401108
1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 109405017
1-(1-benzylpiperidin-4-yl)-3-(2-ethoxyethyl)-2-methylguanidine
CID 110987566

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine?
The IUPAC name of 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine (CID 109404887) is 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine.
What is the SMILES notation for 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine?
The canonical SMILES for 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine is C/N=C(\NCCOCc1ccccc1OC)NC1CCN(CC(C)C)CC1.
What is the InChIKey of 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine?
The InChIKey is GGILWMAMUIXKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-17(2)15-25-12-9-19(10-13-25)24-21(22-3)23-11-14-27-16-18-7-5-6-8-20(18)26-4/h5-8,17,19H,9-16H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine?
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine has a molecular weight of 376.55 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine is sourced from PubChem (CID 109404887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).