N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide

C18H29N3O — CID 111144622

IUPACN-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(/NCC(C)c1ccccc1OC)N1CCCC(C)C1
InChIInChI=1S/C18H29N3O/c1-14-8-7-11-21(13-14)18(19-3)20-12-15(2)16-9-5-6-10-17(16)22-4/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3,(H,19,20)
InChIKeyKZBICFIFOQPQRU-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.11
Rot. Bonds4

About N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide

N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide (PubChem CID 111144622) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide
PubChem CID111144622
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(/NCC(C)c1ccccc1OC)N1CCCC(C)C1
InChIInChI=1S/C18H29N3O/c1-14-8-7-11-21(13-14)18(19-3)20-12-15(2)16-9-5-6-10-17(16)22-4/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3,(H,19,20)
InChIKeyKZBICFIFOQPQRU-UHFFFAOYSA-N
XLogP3.11
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.11
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'}

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Related Compounds

3-(methoxymethyl)-N-[2-(2-methoxyphenyl)propyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111735460
N-[2-(2-methoxyphenyl)propyl]-N'-methyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide
CID 111748818
N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111501931
N-[(2-ethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143731
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722963
ethyl 1-[N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994312
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256928
methyl 2-methyl-3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanoate;hydroiodide
CID 111144955
1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 110991884
N-[(3-bromo-4-methoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111145552
N-[(2,4-dimethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145307
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737452

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide (CID 111144622) is N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide is C/N=C(/NCC(C)c1ccccc1OC)N1CCCC(C)C1.
What is the InChIKey of N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide?
The InChIKey is KZBICFIFOQPQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14-8-7-11-21(13-14)18(19-3)20-12-15(2)16-9-5-6-10-17(16)22-4/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide?
N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide has a molecular weight of 303.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111144622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).