N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide

C18H30IN3O3 — CID 111209994

IUPACN',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cc(OC)c(OC)cc1OC)N1CCC(C)CC1.I
InChIInChI=1S/C18H29N3O3.HI/c1-13-6-8-21(9-7-13)18(19-2)20-12-14-10-16(23-4)17(24-5)11-15(14)22-3;/h10-11,13H,6-9,12H2,1-5H3,(H,19,20);1H
InChIKeyGXCOFYFMQKBYAJ-UHFFFAOYSA-N
MW463.36 g/mol
LogP3.14
Rot. Bonds5

About N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide

N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111209994) has the molecular formula C18H30IN3O3 and a molecular weight of 463.36 g/mol. Its IUPAC name is N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111209994
Molecular FormulaC18H30IN3O3
Molecular Weight463.36 g/mol
Exact Mass463.13
IUPAC NameN',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cc(OC)c(OC)cc1OC)N1CCC(C)CC1.I
InChIInChI=1S/C18H29N3O3.HI/c1-13-6-8-21(9-7-13)18(19-2)20-12-14-10-16(23-4)17(24-5)11-15(14)22-3;/h10-11,13H,6-9,12H2,1-5H3,(H,19,20);1H
InChIKeyGXCOFYFMQKBYAJ-UHFFFAOYSA-N
XLogP3.14
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
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

N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210315
N'-methyl-4-pyrimidin-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111205229
4-(4-fluorophenyl)-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111165022
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111209946
N-[(4-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210992
N',2,2-trimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 109487913
4-benzyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide
CID 110960243
2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558421
N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111212120
N'-methyl-3-(phenylmethoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111525610
N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154158
N-[(2,4-dimethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145307

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111209994) is N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1cc(OC)c(OC)cc1OC)N1CCC(C)CC1.I.
What is the InChIKey of N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is GXCOFYFMQKBYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3.HI/c1-13-6-8-21(9-7-13)18(19-2)20-12-14-10-16(23-4)17(24-5)11-15(14)22-3;/h10-11,13H,6-9,12H2,1-5H3,(H,19,20);1H.
What are the key properties of N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 463.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111209994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).