N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide

C13H28IN5O — CID 111090364

IUPACN'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC(C/N=C(\N)N1CCOCC1)N1CCN(C)CC1.I
InChIInChI=1S/C13H27N5O.HI/c1-12(17-5-3-16(2)4-6-17)11-15-13(14)18-7-9-19-10-8-18;/h12H,3-11H2,1-2H3,(H2,14,15);1H
InChIKeyOFIWPYCPUPVXQM-UHFFFAOYSA-N
MW397.31 g/mol
LogP-0.11
Rot. Bonds3

About N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide

N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111090364) has the molecular formula C13H28IN5O and a molecular weight of 397.31 g/mol. Its IUPAC name is N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111090364
Molecular FormulaC13H28IN5O
Molecular Weight397.31 g/mol
Exact Mass397.13
IUPAC NameN'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC(C/N=C(\N)N1CCOCC1)N1CCN(C)CC1.I
InChIInChI=1S/C13H27N5O.HI/c1-12(17-5-3-16(2)4-6-17)11-15-13(14)18-7-9-19-10-8-18;/h12H,3-11H2,1-2H3,(H2,14,15);1H
InChIKeyOFIWPYCPUPVXQM-UHFFFAOYSA-N
XLogP-0.11
TPSA57.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide (CID 111090364) is N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide is CC(C/N=C(\N)N1CCOCC1)N1CCN(C)CC1.I.
What is the InChIKey of N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is OFIWPYCPUPVXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O.HI/c1-12(17-5-3-16(2)4-6-17)11-15-13(14)18-7-9-19-10-8-18;/h12H,3-11H2,1-2H3,(H2,14,15);1H.
What are the key properties of N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 397.31 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111090364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).