3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide

C16H32N4O — CID 111041135

IUPAC3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC(C(C)C)N2CCOCC2)C1
InChIInChI=1S/C16H32N4O/c1-13(2)15(19-7-9-21-10-8-19)11-18-16(17)20-6-4-5-14(3)12-20/h13-15H,4-12H2,1-3H3,(H2,17,18)
InChIKeyMKDWSYUEQCHFCS-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.39
Rot. Bonds4

About 3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide

3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide (PubChem CID 111041135) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide
PubChem CID111041135
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC(C(C)C)N2CCOCC2)C1
InChIInChI=1S/C16H32N4O/c1-13(2)15(19-7-9-21-10-8-19)11-18-16(17)20-6-4-5-14(3)12-20/h13-15H,4-12H2,1-3H3,(H2,17,18)
InChIKeyMKDWSYUEQCHFCS-UHFFFAOYSA-N
XLogP1.39
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.39
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

3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 111042541
3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111060872
3-methyl-N'-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111074772
N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111076526
N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111086012
4-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919840
3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111099903
N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111145731
N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide
CID 111056830
N'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920030
3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111970356

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide (CID 111041135) is 3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CC(C(C)C)N2CCOCC2)C1.
What is the InChIKey of 3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide?
The InChIKey is MKDWSYUEQCHFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-13(2)15(19-7-9-21-10-8-19)11-18-16(17)20-6-4-5-14(3)12-20/h13-15H,4-12H2,1-3H3,(H2,17,18).
What are the key properties of 3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide?
3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide has a molecular weight of 296.46 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111041135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).