bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid

C24H38N8O6S — CID 71755493

IUPACbis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(\N)N1CCN(c2ccc(OC)cc2)CC1.[H]/N=C(\N)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/2C12H18N4O.H2O4S/c2*1-17-11-4-2-10(3-5-11)15-6-8-16(9-7-15)12(13)14;1-5(2,3)4/h2*2-5H,6-9H2,1H3,(H3,13,14);(H2,1,2,3,4)
InChIKeyKHIFXNDSBFWOIR-UHFFFAOYSA-N
MW566.69 g/mol
LogP0.77
Rot. Bonds4

About bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid

bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid (PubChem CID 71755493) has the molecular formula C24H38N8O6S and a molecular weight of 566.69 g/mol. Its IUPAC name is bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid.

Molecular Properties

Compound Namebis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid
PubChem CID71755493
Molecular FormulaC24H38N8O6S
Molecular Weight566.69 g/mol
Exact Mass566.26
IUPAC Namebis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(\N)N1CCN(c2ccc(OC)cc2)CC1.[H]/N=C(\N)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/2C12H18N4O.H2O4S/c2*1-17-11-4-2-10(3-5-11)15-6-8-16(9-7-15)12(13)14;1-5(2,3)4/h2*2-5H,6-9H2,1H3,(H3,13,14);(H2,1,2,3,4)
InChIKeyKHIFXNDSBFWOIR-UHFFFAOYSA-N
XLogP0.77
TPSA205.76 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.69
LogP ≤ 50.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 87704248
bis(4-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide);sulfuric acid
CID 3043161
N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide
CID 55080376
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 2197299
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
(1-ethylsulfonylpiperidin-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6500405
[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 18159287
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 18545089
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790

Frequently Asked Questions

What is the IUPAC name of bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid?
The IUPAC name of bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid (CID 71755493) is bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid.
What is the SMILES notation for bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid?
The canonical SMILES for bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid is O=S(=O)(O)O.[H]/N=C(\N)N1CCN(c2ccc(OC)cc2)CC1.[H]/N=C(\N)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid?
The InChIKey is KHIFXNDSBFWOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18N4O.H2O4S/c2*1-17-11-4-2-10(3-5-11)15-6-8-16(9-7-15)12(13)14;1-5(2,3)4/h2*2-5H,6-9H2,1H3,(H3,13,14);(H2,1,2,3,4).
What are the key properties of bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid?
bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid has a molecular weight of 566.69 g/mol, XLogP of 0.77, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid is sourced from PubChem (CID 71755493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).