N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide

C25H36IN5O2 — CID 110961570

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(c1ccc(OC)cc1)N1CCOCC1)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C25H35N5O2.HI/c1-26-25(30-14-12-28(13-15-30)22-6-4-3-5-7-22)27-20-24(29-16-18-32-19-17-29)21-8-10-23(31-2)11-9-21;/h3-11,24H,12-20H2,1-2H3,(H,26,27);1H
InChIKeyBSLOWSCUPQIFLG-UHFFFAOYSA-N
MW565.50 g/mol
LogP3.08
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110961570) has the molecular formula C25H36IN5O2 and a molecular weight of 565.50 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110961570
Molecular FormulaC25H36IN5O2
Molecular Weight565.50 g/mol
Exact Mass565.19
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(c1ccc(OC)cc1)N1CCOCC1)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C25H35N5O2.HI/c1-26-25(30-14-12-28(13-15-30)22-6-4-3-5-7-22)27-20-24(29-16-18-32-19-17-29)21-8-10-23(31-2)11-9-21;/h3-11,24H,12-20H2,1-2H3,(H,26,27);1H
InChIKeyBSLOWSCUPQIFLG-UHFFFAOYSA-N
XLogP3.08
TPSA52.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947179
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723694
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
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N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962068
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207894
ethyl 1-[N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155235
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
1-[(2-ethylphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 111636734
1-[(4-methoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 111181672
N-[(4-methoxyphenyl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961407
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111310093
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442178

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide (CID 110961570) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide is C/N=C(\NCC(c1ccc(OC)cc1)N1CCOCC1)N1CCN(c2ccccc2)CC1.I.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is BSLOWSCUPQIFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2.HI/c1-26-25(30-14-12-28(13-15-30)22-6-4-3-5-7-22)27-20-24(29-16-18-32-19-17-29)21-8-10-23(31-2)11-9-21;/h3-11,24H,12-20H2,1-2H3,(H,26,27);1H.
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 565.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110961570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).