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

C22H38IN5O — CID 109481277

IUPACN'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)CN1CCN(C)CC1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C22H37N5O.HI/c1-18(16-26-11-9-25(4)10-12-26)15-24-22(23-3)27-13-14-28-21(17-27)20-8-6-5-7-19(20)2;/h5-8,18,21H,9-17H2,1-4H3,(H,23,24);1H
InChIKeyMZLHPSLCHMMRSM-UHFFFAOYSA-N
MW515.48 g/mol
LogP2.45
Rot. Bonds5

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

N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 109481277) has the molecular formula C22H38IN5O and a molecular weight of 515.48 g/mol. Its IUPAC name is N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID109481277
Molecular FormulaC22H38IN5O
Molecular Weight515.48 g/mol
Exact Mass515.21
IUPAC NameN'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)CN1CCN(C)CC1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C22H37N5O.HI/c1-18(16-26-11-9-25(4)10-12-26)15-24-22(23-3)27-13-14-28-21(17-27)20-8-6-5-7-19(20)2;/h5-8,18,21H,9-17H2,1-4H3,(H,23,24);1H
InChIKeyMZLHPSLCHMMRSM-UHFFFAOYSA-N
XLogP2.45
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.48
LogP ≤ 52.45
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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Related Compounds

N'-methyl-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481283
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N'-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480279
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480572
N-(2-methoxy-3,3-dimethylbutyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480491
N'-methyl-2-(2-methylphenyl)-N-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908
N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480679
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111722685
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480520
N-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N'-methyl-2-(2-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 109481456
N-butan-2-yl-3-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]propanamide;hydroiodide
CID 109479676

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (CID 109481277) is N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is C/N=C(\NCC(C)CN1CCN(C)CC1)N1CCOC(c2ccccc2C)C1.I.
What is the InChIKey of N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is MZLHPSLCHMMRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O.HI/c1-18(16-26-11-9-25(4)10-12-26)15-24-22(23-3)27-13-14-28-21(17-27)20-8-6-5-7-19(20)2;/h5-8,18,21H,9-17H2,1-4H3,(H,23,24);1H.
What are the key properties of N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 515.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109481277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).