N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

C17H29IN4O — CID 111084050

IUPACN'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCN(C)CCOc1ccccc1C/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C17H28N4O.HI/c1-20(2)12-13-22-16-9-5-4-8-15(16)14-19-17(18)21-10-6-3-7-11-21;/h4-5,8-9H,3,6-7,10-14H2,1-2H3,(H2,18,19);1H
InChIKeySROAVJXDYIBVNT-UHFFFAOYSA-N
MW432.35 g/mol
LogP2.55
Rot. Bonds6

About N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111084050) has the molecular formula C17H29IN4O and a molecular weight of 432.35 g/mol. Its IUPAC name is N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111084050
Molecular FormulaC17H29IN4O
Molecular Weight432.35 g/mol
Exact Mass432.14
IUPAC NameN'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCN(C)CCOc1ccccc1C/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C17H28N4O.HI/c1-20(2)12-13-22-16-9-5-4-8-15(16)14-19-17(18)21-10-6-3-7-11-21;/h4-5,8-9H,3,6-7,10-14H2,1-2H3,(H2,18,19);1H
InChIKeySROAVJXDYIBVNT-UHFFFAOYSA-N
XLogP2.55
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955424
N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111084049
N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111084138
N'-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111077066
N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111821179
N'-[(2-prop-2-enoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111810182
N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111084139
N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111816443
N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111100994
N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111053986
1-(cyclobutylmethyl)-2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]guanidine
CID 111084029
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111084050) is N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is CN(C)CCOc1ccccc1C/N=C(\N)N1CCCCC1.I.
What is the InChIKey of N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is SROAVJXDYIBVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.HI/c1-20(2)12-13-22-16-9-5-4-8-15(16)14-19-17(18)21-10-6-3-7-11-21;/h4-5,8-9H,3,6-7,10-14H2,1-2H3,(H2,18,19);1H.
What are the key properties of N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 432.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111084050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).