4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide

C23H29N3O2 — CID 109415306

IUPAC4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(/NCCc1ccc(OC)cc1O)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-24-23(25-13-10-20-8-9-21(28-2)17-22(20)27)26-14-11-19(12-15-26)16-18-6-4-3-5-7-18/h3-9,16-17,27H,10-15H2,1-2H3,(H,24,25)
InChIKeyAVRBAOUASJHWEQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.70
Rot. Bonds5

About 4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide

4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide (PubChem CID 109415306) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide
PubChem CID109415306
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(/NCCc1ccc(OC)cc1O)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-24-23(25-13-10-20-8-9-21(28-2)17-22(20)27)26-14-11-19(12-15-26)16-18-6-4-3-5-7-18/h3-9,16-17,27H,10-15H2,1-2H3,(H,24,25)
InChIKeyAVRBAOUASJHWEQ-UHFFFAOYSA-N
XLogP3.70
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 109415014
4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415037
4-benzylidene-N-[(3-fluoro-4-hydroxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 109414828
4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414255
4-benzylidene-N-(2-ethoxyethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415315
4-benzylidene-N'-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109414678
3-[2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 109414995
4-benzylidene-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415041
N-[2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 109414731
4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109415045
4-benzylidene-N-[2-(6-chloro-3-pyridinyl)ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414663
4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414843

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide (CID 109415306) is 4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide is C/N=C(/NCCc1ccc(OC)cc1O)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide?
The InChIKey is AVRBAOUASJHWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-24-23(25-13-10-20-8-9-21(28-2)17-22(20)27)26-14-11-19(12-15-26)16-18-6-4-3-5-7-18/h3-9,16-17,27H,10-15H2,1-2H3,(H,24,25).
What are the key properties of 4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide?
4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide has a molecular weight of 379.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 109415306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).