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

C22H30N4O — CID 111047098

IUPAC1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
SMILESCOc1ccccc1N/C(N)=N/Cc1ccc(CN2CCCCC2C)cc1
InChIInChI=1S/C22H30N4O/c1-17-7-5-6-14-26(17)16-19-12-10-18(11-13-19)15-24-22(23)25-20-8-3-4-9-21(20)27-2/h3-4,8-13,17H,5-7,14-16H2,1-2H3,(H3,23,24,25)
InChIKeyDXDVJXNOIPCBEK-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.00
Rot. Bonds6

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

1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine (PubChem CID 111047098) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
PubChem CID111047098
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
SMILESCOc1ccccc1N/C(N)=N/Cc1ccc(CN2CCCCC2C)cc1
InChIInChI=1S/C22H30N4O/c1-17-7-5-6-14-26(17)16-19-12-10-18(11-13-19)15-24-22(23)25-20-8-3-4-9-21(20)27-2/h3-4,8-13,17H,5-7,14-16H2,1-2H3,(H3,23,24,25)
InChIKeyDXDVJXNOIPCBEK-UHFFFAOYSA-N
XLogP4.00
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.00
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'}

Analyze 1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111087104
2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111803748
1-(2-methoxyphenyl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine
CID 111072419
1-(2-methoxyphenyl)-2-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]guanidine
CID 111080425
1-(2-methoxyphenyl)-2-[(4-thiomorpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111068454
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111056792
1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111047150
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034020
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111049997
1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111047114
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
1-(2-methoxyphenyl)-2-[(4-methylsulfinylphenyl)methyl]guanidine;hydroiodide
CID 111859704

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
The IUPAC name of 1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine (CID 111047098) is 1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine is COc1ccccc1N/C(N)=N/Cc1ccc(CN2CCCCC2C)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
The InChIKey is DXDVJXNOIPCBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17-7-5-6-14-26(17)16-19-12-10-18(11-13-19)15-24-22(23)25-20-8-3-4-9-21(20)27-2/h3-4,8-13,17H,5-7,14-16H2,1-2H3,(H3,23,24,25).
What are the key properties of 1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine has a molecular weight of 366.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine is sourced from PubChem (CID 111047098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).