N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

C17H28IN3O — CID 111212120

IUPACN-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1ccccc1OC)N1CCC(C)CC1.I
InChIInChI=1S/C17H27N3O.HI/c1-14-9-12-20(13-10-14)17(18-2)19-11-8-15-6-4-5-7-16(15)21-3;/h4-7,14H,8-13H2,1-3H3,(H,18,19);1H
InChIKeyKETXAQVDTWOZPZ-UHFFFAOYSA-N
MW417.34 g/mol
LogP3.16
Rot. Bonds4

About N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111212120) has the molecular formula C17H28IN3O and a molecular weight of 417.34 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111212120
Molecular FormulaC17H28IN3O
Molecular Weight417.34 g/mol
Exact Mass417.13
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1ccccc1OC)N1CCC(C)CC1.I
InChIInChI=1S/C17H27N3O.HI/c1-14-9-12-20(13-10-14)17(18-2)19-11-8-15-6-4-5-7-16(15)21-3;/h4-7,14H,8-13H2,1-3H3,(H,18,19);1H
InChIKeyKETXAQVDTWOZPZ-UHFFFAOYSA-N
XLogP3.16
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
ethyl 1-[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111156073
N',4-dimethyl-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 111211565
N-[2-[(2-methoxyphenyl)methoxy]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 109401264
4-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958496
4-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide
CID 111958497
N-[2-[(2-methoxyphenyl)methoxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426639
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111340304
N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111209994
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
N-[2-(2-methoxy-5-methylphenyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144681
tert-butyl 4-[[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111340872

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111212120) is N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCc1ccccc1OC)N1CCC(C)CC1.I.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is KETXAQVDTWOZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.HI/c1-14-9-12-20(13-10-14)17(18-2)19-11-8-15-6-4-5-7-16(15)21-3;/h4-7,14H,8-13H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 417.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111212120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).