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

C24H33IN4O2 — CID 109387206

IUPAC1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
SMILESC/N=C(/NC1CCN(c2cc(OC)cc(OC)c2)CC1)NC1CC1c1ccccc1.I
InChIInChI=1S/C24H32N4O2.HI/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);1H
InChIKeyAPCZFELMPQDFOB-UHFFFAOYSA-N
MW536.46 g/mol
LogP4.01
Rot. Bonds6

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

1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide (PubChem CID 109387206) has the molecular formula C24H33IN4O2 and a molecular weight of 536.46 g/mol. Its IUPAC name is 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
PubChem CID109387206
Molecular FormulaC24H33IN4O2
Molecular Weight536.46 g/mol
Exact Mass536.16
IUPAC Name1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
SMILESC/N=C(/NC1CCN(c2cc(OC)cc(OC)c2)CC1)NC1CC1c1ccccc1.I
InChIInChI=1S/C24H32N4O2.HI/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);1H
InChIKeyAPCZFELMPQDFOB-UHFFFAOYSA-N
XLogP4.01
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.46
LogP ≤ 54.01
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine
CID 109387207
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]-2-methyl-3-[(2-nitrophenyl)methyl]guanidine;hydroiodide
CID 109388658
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-(2-methoxyethyl)-2-methylguanidine
CID 109387065
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-methylguanidine
CID 109387015
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-[(2-ethoxyphenyl)methyl]-2-methylguanidine
CID 109387211
4-(3-methoxyphenyl)-N'-methyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide
CID 111291299
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-[(1-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 109388046
1-[(3-cyanophenyl)methyl]-3-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 109387666
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-methylguanidine;hydroiodide
CID 111924552
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-[(4-methylsulfanylphenyl)methyl]guanidine
CID 109387253

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide (CID 109387206) is 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide is C/N=C(/NC1CCN(c2cc(OC)cc(OC)c2)CC1)NC1CC1c1ccccc1.I.
What is the InChIKey of 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide?
The InChIKey is APCZFELMPQDFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2.HI/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);1H.
What are the key properties of 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide?
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide has a molecular weight of 536.46 g/mol, XLogP of 4.01, 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;hydroiodide is sourced from PubChem (CID 109387206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).