4-benzylidene-N'-ethylpiperidine-1-carboximidamide

C15H21N3 — CID 86814243

IUPAC4-benzylidene-N'-ethylpiperidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C15H21N3/c1-2-17-15(16)18-10-8-14(9-11-18)12-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H2,16,17)
InChIKeyZSNFYOBZTXRFAJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.50
Rot. Bonds2

About 4-benzylidene-N'-ethylpiperidine-1-carboximidamide

4-benzylidene-N'-ethylpiperidine-1-carboximidamide (PubChem CID 86814243) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-benzylidene-N'-ethylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzylidene-N'-ethylpiperidine-1-carboximidamide
PubChem CID86814243
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-benzylidene-N'-ethylpiperidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C15H21N3/c1-2-17-15(16)18-10-8-14(9-11-18)12-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H2,16,17)
InChIKeyZSNFYOBZTXRFAJ-UHFFFAOYSA-N
XLogP2.50
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-ethyl-4-phenylpiperazine-1-carboximidamide
CID 55064093
ethane;ethyl 2-(4-benzylidenepiperidin-1-yl)-2-oxoacetate
CID 91434018
N'-ethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110911923
methyl 4-benzylidenepiperidine-1-carboxylate
CID 22893849
4-[[[(4-benzylidenepiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 109414793
4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414843
N'-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426122
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-ethyl-N'-[2-(2-methoxyethoxy)ethyl]piperidine-1-carboximidamide
CID 109414630
4-benzylidene-N-ethyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 109414911
4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 109415437

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N'-ethylpiperidine-1-carboximidamide?
The IUPAC name of 4-benzylidene-N'-ethylpiperidine-1-carboximidamide (CID 86814243) is 4-benzylidene-N'-ethylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-benzylidene-N'-ethylpiperidine-1-carboximidamide?
The canonical SMILES for 4-benzylidene-N'-ethylpiperidine-1-carboximidamide is CC/N=C(\N)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylidene-N'-ethylpiperidine-1-carboximidamide?
The InChIKey is ZSNFYOBZTXRFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-17-15(16)18-10-8-14(9-11-18)12-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H2,16,17).
What are the key properties of 4-benzylidene-N'-ethylpiperidine-1-carboximidamide?
4-benzylidene-N'-ethylpiperidine-1-carboximidamide has a molecular weight of 243.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N'-ethylpiperidine-1-carboximidamide is sourced from PubChem (CID 86814243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).