N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide

C17H27N3O — CID 110928149

IUPACN'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
SMILESCOc1ccccc1C(C)C/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C17H27N3O/c1-13-8-10-20(11-9-13)17(18)19-12-14(2)15-6-4-5-7-16(15)21-3/h4-7,13-14H,8-12H2,1-3H3,(H2,18,19)
InChIKeyJQLSTCPXIIPPDG-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.85
Rot. Bonds4

About N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide

N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110928149) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110928149
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide
SMILESCOc1ccccc1C(C)C/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C17H27N3O/c1-13-8-10-20(11-9-13)17(18)19-12-14(2)15-6-4-5-7-16(15)21-3/h4-7,13-14H,8-12H2,1-3H3,(H2,18,19)
InChIKeyJQLSTCPXIIPPDG-UHFFFAOYSA-N
XLogP2.85
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.85
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

4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111097686
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935470
4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide
CID 110920562
N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111028952
4-methyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920423
N'-[2-(4-fluorophenyl)-2-methoxyethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111498006
N'-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920623
N'-[2-(4-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465592
4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide
CID 111465531
N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
CID 110919680
N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 124536276
N'-[(3-bromo-4-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110927914

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide (CID 110928149) is N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide is COc1ccccc1C(C)C/N=C(\N)N1CCC(C)CC1.
What is the InChIKey of N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is JQLSTCPXIIPPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-8-10-20(11-9-13)17(18)19-12-14(2)15-6-4-5-7-16(15)21-3/h4-7,13-14H,8-12H2,1-3H3,(H2,18,19).
What are the key properties of N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-(2-methoxyphenyl)propyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 289.42 g/mol, XLogP of 2.85, 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]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110928149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).