4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide

C21H34N4O — CID 111152726

IUPAC4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\CCN1CCOCC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H34N4O/c1-2-22-21(23-10-13-24-14-16-26-17-15-24)25-11-8-20(9-12-25)18-19-6-4-3-5-7-19/h3-7,20H,2,8-18H2,1H3,(H,22,23)
InChIKeySZSWWVIQYQBVTK-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.24
Rot. Bonds6

About 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide

4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide (PubChem CID 111152726) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide
PubChem CID111152726
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\CCN1CCOCC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H34N4O/c1-2-22-21(23-10-13-24-14-16-26-17-15-24)25-11-8-20(9-12-25)18-19-6-4-3-5-7-19/h3-7,20H,2,8-18H2,1H3,(H,22,23)
InChIKeySZSWWVIQYQBVTK-UHFFFAOYSA-N
XLogP2.24
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
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

4-benzyl-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152641
N-ethyl-N'-(2-morpholin-4-ylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427606
4-benzyl-N-ethyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111152653
N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111152410
4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111152499
4-benzyl-N-ethyl-N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 111152474
4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111152565
4-benzyl-N-ethyl-N'-(2-methylsulfonylethyl)piperidine-1-carboximidamide
CID 111152524
4-benzyl-N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 109391521
4-benzyl-N-ethyl-N'-(2-imidazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111152407
4-benzyl-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 110959850
4-benzyl-N-ethyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152663

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide?
The IUPAC name of 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide (CID 111152726) is 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide is CCN/C(=N\CCN1CCOCC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide?
The InChIKey is SZSWWVIQYQBVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-2-22-21(23-10-13-24-14-16-26-17-15-24)25-11-8-20(9-12-25)18-19-6-4-3-5-7-19/h3-7,20H,2,8-18H2,1H3,(H,22,23).
What are the key properties of 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide?
4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide has a molecular weight of 358.53 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111152726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).