N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide

C19H27IN6O2 — CID 119154511

IUPACN-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1ccc(O)cc1)N1CCN(c2nccn(C)c2=O)CC1.I
InChIInChI=1S/C19H26N6O2.HI/c1-20-19(22-8-7-15-3-5-16(26)6-4-15)25-13-11-24(12-14-25)17-18(27)23(2)10-9-21-17;/h3-6,9-10,26H,7-8,11-14H2,1-2H3,(H,20,22);1H
InChIKeyFNBYANCGHIYHKK-UHFFFAOYSA-N
MW498.37 g/mol
LogP1.04
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide

N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119154511) has the molecular formula C19H27IN6O2 and a molecular weight of 498.37 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
PubChem CID119154511
Molecular FormulaC19H27IN6O2
Molecular Weight498.37 g/mol
Exact Mass498.12
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1ccc(O)cc1)N1CCN(c2nccn(C)c2=O)CC1.I
InChIInChI=1S/C19H26N6O2.HI/c1-20-19(22-8-7-15-3-5-16(26)6-4-15)25-13-11-24(12-14-25)17-18(27)23(2)10-9-21-17;/h3-6,9-10,26H,7-8,11-14H2,1-2H3,(H,20,22);1H
InChIKeyFNBYANCGHIYHKK-UHFFFAOYSA-N
XLogP1.04
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119159109
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119153219
N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119160085
N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide
CID 119154604
N-[[3-(hydroxymethyl)phenyl]methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119159078
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119153096
N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide
CID 119159184
N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
CID 119152345
N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119155719
N-[(2,5-difluorophenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119154608
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119153099
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119153100

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 119154511) is N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCCc1ccc(O)cc1)N1CCN(c2nccn(C)c2=O)CC1.I.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is FNBYANCGHIYHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2.HI/c1-20-19(22-8-7-15-3-5-16(26)6-4-15)25-13-11-24(12-14-25)17-18(27)23(2)10-9-21-17;/h3-6,9-10,26H,7-8,11-14H2,1-2H3,(H,20,22);1H.
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?
N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 498.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119154511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).