1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine

C17H28N4O — CID 111074647

IUPAC1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
SMILESCOc1ccc(N/C(N)=N/CC(C)CN2CCCCC2)cc1
InChIInChI=1S/C17H28N4O/c1-14(13-21-10-4-3-5-11-21)12-19-17(18)20-15-6-8-16(22-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3,(H3,18,19,20)
InChIKeyUIMZPXKKFSCVNJ-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.54
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine

1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine (PubChem CID 111074647) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
PubChem CID111074647
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
SMILESCOc1ccc(N/C(N)=N/CC(C)CN2CCCCC2)cc1
InChIInChI=1S/C17H28N4O/c1-14(13-21-10-4-3-5-11-21)12-19-17(18)20-15-6-8-16(22-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3,(H3,18,19,20)
InChIKeyUIMZPXKKFSCVNJ-UHFFFAOYSA-N
XLogP2.54
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.54
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

1-(3,4-dimethoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074678
1-(4-ethylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070246
1-(4-butan-2-ylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070216
1-(3,4-dimethylphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 111074659
1-(4-butan-2-ylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111070215
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074690
1-(3,5-dimethylphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074656
1-(3,5-dimethylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070226
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074706
1-(3,4-dimethoxyphenyl)-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine;hydroiodide
CID 111070455
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-phenylguanidine
CID 110927374
2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine
CID 111439306

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine (CID 111074647) is 1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine is COc1ccc(N/C(N)=N/CC(C)CN2CCCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
The InChIKey is UIMZPXKKFSCVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14(13-21-10-4-3-5-11-21)12-19-17(18)20-15-6-8-16(22-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3,(H3,18,19,20).
What are the key properties of 1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine has a molecular weight of 304.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 111074647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).