1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine

C24H32N4O2 — CID 109387207

IUPAC1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine
SMILESC/N=C(/NC1CCN(c2cc(OC)cc(OC)c2)CC1)NC1CC1c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-25-24(27-23-16-22(23)17-7-5-4-6-8-17)26-18-9-11-28(12-10-18)19-13-20(29-2)15-21(14-19)30-3/h4-8,13-15,18,22-23H,9-12,16H2,1-3H3,(H2,25,26,27)
InChIKeyMVTJCOLFEYUNOI-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.39
Rot. Bonds6

About 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine

1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine (PubChem CID 109387207) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine
PubChem CID109387207
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine
SMILESC/N=C(/NC1CCN(c2cc(OC)cc(OC)c2)CC1)NC1CC1c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-25-24(27-23-16-22(23)17-7-5-4-6-8-17)26-18-9-11-28(12-10-18)19-13-20(29-2)15-21(14-19)30-3/h4-8,13-15,18,22-23H,9-12,16H2,1-3H3,(H2,25,26,27)
InChIKeyMVTJCOLFEYUNOI-UHFFFAOYSA-N
XLogP3.39
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 109387206
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 109388636
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-(2-methoxyethyl)-2-methylguanidine
CID 109387065
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine
CID 109387015
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-[(2-ethoxyphenyl)methyl]-2-methylguanidine
CID 109387211
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-[(2-nitrophenyl)methyl]guanidine;hydroiodide
CID 109388658
4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide
CID 111291299
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 109387548
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-[(4-methylsulfanylphenyl)methyl]guanidine
CID 109387253
1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea
CID 51050042
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 109387057
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-[(1-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 109388046

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine (CID 109387207) is 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine is C/N=C(/NC1CCN(c2cc(OC)cc(OC)c2)CC1)NC1CC1c1ccccc1.
What is the InChIKey of 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine?
The InChIKey is MVTJCOLFEYUNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-25-24(27-23-16-22(23)17-7-5-4-6-8-17)26-18-9-11-28(12-10-18)19-13-20(29-2)15-21(14-19)30-3/h4-8,13-15,18,22-23H,9-12,16H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine?
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine has a molecular weight of 408.55 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 109387207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).