N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

C19H31ClIN3O — CID 111958776

IUPACN-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCC(C)(C)c2ccc(Cl)cc2)CC1.I
InChIInChI=1S/C19H30ClN3O.HI/c1-5-24-17-10-12-23(13-11-17)18(21-4)22-14-19(2,3)15-6-8-16(20)9-7-15;/h6-9,17H,5,10-14H2,1-4H3,(H,21,22);1H
InChIKeyIUBKHWPJPNWFGE-UHFFFAOYSA-N
MW479.83 g/mol
LogP4.31
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111958776) has the molecular formula C19H31ClIN3O and a molecular weight of 479.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111958776
Molecular FormulaC19H31ClIN3O
Molecular Weight479.83 g/mol
Exact Mass479.12
IUPAC NameN-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCC(C)(C)c2ccc(Cl)cc2)CC1.I
InChIInChI=1S/C19H30ClN3O.HI/c1-5-24-17-10-12-23(13-11-17)18(21-4)22-14-19(2,3)15-6-8-16(20)9-7-15;/h6-9,17H,5,10-14H2,1-4H3,(H,21,22);1H
InChIKeyIUBKHWPJPNWFGE-UHFFFAOYSA-N
XLogP4.31
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.83
LogP ≤ 54.31
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

4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959266
N-[2-(3-bromophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960356
N-[3-(4-chlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960653
ethyl 1-[N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156458
N-[2-(4-chlorophenyl)-2-methylpropyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742581
4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958732
N-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960053
N-[2-(2,6-dichlorophenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960837
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167090
N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958911
N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 111958945
4-ethoxy-N-[2-(5-iodothiophen-2-yl)ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959310

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide (CID 111958776) is N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide is CCOC1CCN(/C(=N/C)NCC(C)(C)c2ccc(Cl)cc2)CC1.I.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is IUBKHWPJPNWFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O.HI/c1-5-24-17-10-12-23(13-11-17)18(21-4)22-14-19(2,3)15-6-8-16(20)9-7-15;/h6-9,17H,5,10-14H2,1-4H3,(H,21,22);1H.
What are the key properties of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 479.83 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111958776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).