4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide

C22H34N4 — CID 109415086

IUPAC4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCN(C)C1)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C22H34N4/c1-3-23-22(24-17-21-10-7-13-25(2)18-21)26-14-11-20(12-15-26)16-19-8-5-4-6-9-19/h4-6,8-9,16,21H,3,7,10-15,17-18H2,1-2H3,(H,23,24)
InChIKeyDPBWIRUHMSILGC-UHFFFAOYSA-N
MW354.54 g/mol
LogP3.47
Rot. Bonds4

About 4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide

4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide (PubChem CID 109415086) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is 4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide
PubChem CID109415086
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC Name4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCN(C)C1)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C22H34N4/c1-3-23-22(24-17-21-10-7-13-25(2)18-21)26-14-11-20(12-15-26)16-19-8-5-4-6-9-19/h4-6,8-9,16,21H,3,7,10-15,17-18H2,1-2H3,(H,23,24)
InChIKeyDPBWIRUHMSILGC-UHFFFAOYSA-N
XLogP3.47
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.47
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-benzylidene-N-ethyl-N'-[(1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 109414811
4-benzylidene-N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 109414792
4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 109415269
4-benzylidene-N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]piperidine-1-carboximidamide
CID 109414630
4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 109415437
4-(2-chlorophenyl)-N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
CID 111177382
N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427283
4-benzylidene-N-ethyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 109414911
4-benzylidene-N'-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 109415551
4-benzylidene-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 109415281
4-benzylidene-N-ethyl-N'-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 109414368
4-benzylidene-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 109414390

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide (CID 109415086) is 4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide is CCN/C(=N\CC1CCCN(C)C1)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is DPBWIRUHMSILGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4/c1-3-23-22(24-17-21-10-7-13-25(2)18-21)26-14-11-20(12-15-26)16-19-8-5-4-6-9-19/h4-6,8-9,16,21H,3,7,10-15,17-18H2,1-2H3,(H,23,24).
What are the key properties of 4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide?
4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 354.54 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 109415086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).