2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine

C22H30N4O — CID 111814512

IUPAC2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine
SMILESCOc1ccc(C2C(C/N=C(\N)Nc3cccc(C)c3)CCCN2C)cc1
InChIInChI=1S/C22H30N4O/c1-16-6-4-8-19(14-16)25-22(23)24-15-18-7-5-13-26(2)21(18)17-9-11-20(27-3)12-10-17/h4,6,8-12,14,18,21H,5,7,13,15H2,1-3H3,(H3,23,24,25)
InChIKeyUILYOEYCUOCRLK-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.81
Rot. Bonds5

About 2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine

2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine (PubChem CID 111814512) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine
PubChem CID111814512
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine
SMILESCOc1ccc(C2C(C/N=C(\N)Nc3cccc(C)c3)CCCN2C)cc1
InChIInChI=1S/C22H30N4O/c1-16-6-4-8-19(14-16)25-22(23)24-15-18-7-5-13-26(2)21(18)17-9-11-20(27-3)12-10-17/h4,6,8-12,14,18,21H,5,7,13,15H2,1-3H3,(H3,23,24,25)
InChIKeyUILYOEYCUOCRLK-UHFFFAOYSA-N
XLogP3.81
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.81
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-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]guanidine;hydroiodide
CID 111814537
2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-prop-2-enylguanidine;hydroiodide
CID 111414872
2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 111814540
2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-1-phenylguanidine;hydroiodide
CID 111456572
1-(3-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086732
1-cyclopropyl-3-ethyl-2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]guanidine;hydroiodide
CID 111790864
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111814516
2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine
CID 111599414
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111814515
1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111810616
2-[(6-methoxynaphthalen-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111039050
1-(3-chloro-4-methoxyphenyl)-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 120972946

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine?
The IUPAC name of 2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine (CID 111814512) is 2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine is COc1ccc(C2C(C/N=C(\N)Nc3cccc(C)c3)CCCN2C)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine?
The InChIKey is UILYOEYCUOCRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-6-4-8-19(14-16)25-22(23)24-15-18-7-5-13-26(2)21(18)17-9-11-20(27-3)12-10-17/h4,6,8-12,14,18,21H,5,7,13,15H2,1-3H3,(H3,23,24,25).
What are the key properties of 2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine?
2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine has a molecular weight of 366.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-(3-methylphenyl)guanidine is sourced from PubChem (CID 111814512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).