N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C18H30IN3O2 — CID 110935415

IUPACN'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCOc1ccc(COCCC/N=C(\N)N2CCC(C)CC2)cc1.I
InChIInChI=1S/C18H29N3O2.HI/c1-15-8-11-21(12-9-15)18(19)20-10-3-13-23-14-16-4-6-17(22-2)7-5-16;/h4-7,15H,3,8-14H2,1-2H3,(H2,19,20);1H
InChIKeyJQOCYCLPULFJOA-UHFFFAOYSA-N
MW447.36 g/mol
LogP3.27
Rot. Bonds7

About N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 110935415) has the molecular formula C18H30IN3O2 and a molecular weight of 447.36 g/mol. Its IUPAC name is N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID110935415
Molecular FormulaC18H30IN3O2
Molecular Weight447.36 g/mol
Exact Mass447.14
IUPAC NameN'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCOc1ccc(COCCC/N=C(\N)N2CCC(C)CC2)cc1.I
InChIInChI=1S/C18H29N3O2.HI/c1-15-8-11-21(12-9-15)18(19)20-10-3-13-23-14-16-4-6-17(22-2)7-5-16;/h4-7,15H,3,8-14H2,1-2H3,(H2,19,20);1H
InChIKeyJQOCYCLPULFJOA-UHFFFAOYSA-N
XLogP3.27
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919473
tert-butyl 4-[N'-[3-[(4-methoxyphenyl)methoxy]propyl]carbamimidoyl]piperazine-1-carboxylate
CID 111099434
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
CID 110921085
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 111099385
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111975504
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111099386
1,1-diethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111099400
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 110920377

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 110935415) is N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is COc1ccc(COCCC/N=C(\N)N2CCC(C)CC2)cc1.I.
What is the InChIKey of N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is JQOCYCLPULFJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.HI/c1-15-8-11-21(12-9-15)18(19)20-10-3-13-23-14-16-4-6-17(22-2)7-5-16;/h4-7,15H,3,8-14H2,1-2H3,(H2,19,20);1H.
What are the key properties of N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 447.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110935415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).