N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide

C22H30IN3O — CID 109425405

IUPACN'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1ccccc1C)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C22H29N3O.HI/c1-18-8-6-7-9-19(18)12-15-24-22(23-2)25-16-13-21(14-17-25)26-20-10-4-3-5-11-20;/h3-11,21H,12-17H2,1-2H3,(H,23,24);1H
InChIKeyFRZZWEHQRKUWNY-UHFFFAOYSA-N
MW479.41 g/mol
LogP4.27
Rot. Bonds5

About N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide

N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide (PubChem CID 109425405) has the molecular formula C22H30IN3O and a molecular weight of 479.41 g/mol. Its IUPAC name is N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
PubChem CID109425405
Molecular FormulaC22H30IN3O
Molecular Weight479.41 g/mol
Exact Mass479.14
IUPAC NameN'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1ccccc1C)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C22H29N3O.HI/c1-18-8-6-7-9-19(18)12-15-24-22(23-2)25-16-13-21(14-17-25)26-20-10-4-3-5-11-20;/h3-11,21H,12-17H2,1-2H3,(H,23,24);1H
InChIKeyFRZZWEHQRKUWNY-UHFFFAOYSA-N
XLogP4.27
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.41
LogP ≤ 54.27
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-(2,5-difluorophenyl)ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426655
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771
N'-methyl-N-(3-methylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425993
N'-methyl-4-phenoxy-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 109427767
N-(3-fluoropropyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425403
N-[2-(3,5-difluorophenyl)ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427778
N-[2-(2,6-difluorophenyl)ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109428101
N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide
CID 109428079
N'-methyl-N-(4-methylpentyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426779
N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425491
N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426691
N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide
CID 109425492

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide (CID 109425405) is N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCc1ccccc1C)N1CCC(Oc2ccccc2)CC1.I.
What is the InChIKey of N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The InChIKey is FRZZWEHQRKUWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O.HI/c1-18-8-6-7-9-19(18)12-15-24-22(23-2)25-16-13-21(14-17-25)26-20-10-4-3-5-11-20;/h3-11,21H,12-17H2,1-2H3,(H,23,24);1H.
What are the key properties of N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide has a molecular weight of 479.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109425405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).