N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide

C18H29N3O2 — CID 110921085

IUPACN'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
SMILESCOc1ccc(CCC/N=C(\N)N2CCC(C)CC2)cc1OC
InChIInChI=1S/C18H29N3O2/c1-14-8-11-21(12-9-14)18(19)20-10-4-5-15-6-7-16(22-2)17(13-15)23-3/h6-7,13-14H,4-5,8-12H2,1-3H3,(H2,19,20)
InChIKeyODUJMKZZTJPZDV-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.68
Rot. Bonds6

About N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide

N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110921085) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110921085
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
SMILESCOc1ccc(CCC/N=C(\N)N2CCC(C)CC2)cc1OC
InChIInChI=1S/C18H29N3O2/c1-14-8-11-21(12-9-14)18(19)20-10-4-5-15-6-7-16(22-2)17(13-15)23-3/h6-7,13-14H,4-5,8-12H2,1-3H3,(H2,19,20)
InChIKeyODUJMKZZTJPZDV-UHFFFAOYSA-N
XLogP2.68
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.68
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'}

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Related Compounds

N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919473
N'-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920623
N'-[(3-bromo-4-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110927914
N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935415
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
methyl 1-[N'-[3-(3,4-dimethoxyphenyl)propyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111253005
N'-[2-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935123
N'-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-methylpiperidine-1-carboximidamide
CID 111211849
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111214260
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113121872
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide (CID 110921085) is N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide is COc1ccc(CCC/N=C(\N)N2CCC(C)CC2)cc1OC.
What is the InChIKey of N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is ODUJMKZZTJPZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-8-11-21(12-9-14)18(19)20-10-4-5-15-6-7-16(22-2)17(13-15)23-3/h6-7,13-14H,4-5,8-12H2,1-3H3,(H2,19,20).
What are the key properties of N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide?
N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 319.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,4-dimethoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110921085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).