N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide

C23H39IN4O — CID 109480237

IUPACN'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCCN1CCCC(C)C1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C23H38N4O.HI/c1-19-9-8-14-26(17-19)13-7-6-12-25-23(24-3)27-15-16-28-22(18-27)21-11-5-4-10-20(21)2;/h4-5,10-11,19,22H,6-9,12-18H2,1-3H3,(H,24,25);1H
InChIKeyJPNMNXOGYVSATB-UHFFFAOYSA-N
MW514.50 g/mol
LogP4.07
Rot. Bonds6

About N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide

N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 109480237) has the molecular formula C23H39IN4O and a molecular weight of 514.50 g/mol. Its IUPAC name is N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID109480237
Molecular FormulaC23H39IN4O
Molecular Weight514.50 g/mol
Exact Mass514.22
IUPAC NameN'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCCN1CCCC(C)C1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C23H38N4O.HI/c1-19-9-8-14-26(17-19)13-7-6-12-25-23(24-3)27-15-16-28-22(18-27)21-11-5-4-10-20(21)2;/h4-5,10-11,19,22H,6-9,12-18H2,1-3H3,(H,24,25);1H
InChIKeyJPNMNXOGYVSATB-UHFFFAOYSA-N
XLogP4.07
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-2-(2-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 109481456
N'-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480279
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480747
N-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N'-methyl-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481283
N-[4-(diethylamino)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480236
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N'-methyl-2-(2-methylphenyl)-N-(3-pyrazol-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 109480998
N',3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111143864
N'-methyl-2-(2-methylphenyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480152
N-[2-(2-butoxyethoxy)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480418
N'-methyl-2-(2-methylphenyl)-N-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide (CID 109480237) is N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide is C/N=C(\NCCCCN1CCCC(C)C1)N1CCOC(c2ccccc2C)C1.I.
What is the InChIKey of N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is JPNMNXOGYVSATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O.HI/c1-19-9-8-14-26(17-19)13-7-6-12-25-23(24-3)27-15-16-28-22(18-27)21-11-5-4-10-20(21)2;/h4-5,10-11,19,22H,6-9,12-18H2,1-3H3,(H,24,25);1H.
What are the key properties of N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide?
N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 514.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109480237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).