N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide

C16H26N4O — CID 111184772

IUPACN-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
SMILESCCCCN/C(=N\C)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C16H26N4O/c1-3-4-9-18-16(17-2)20-12-10-19(11-13-20)14-7-5-6-8-15(14)21/h5-8,21H,3-4,9-13H2,1-2H3,(H,17,18)
InChIKeyZUGGSAZFMUKGQD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.89
Rot. Bonds4

About N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide

N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 111184772) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID111184772
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
SMILESCCCCN/C(=N\C)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C16H26N4O/c1-3-4-9-18-16(17-2)20-12-10-19(11-13-20)14-7-5-6-8-15(14)21/h5-8,21H,3-4,9-13H2,1-2H3,(H,17,18)
InChIKeyZUGGSAZFMUKGQD-UHFFFAOYSA-N
XLogP1.89
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide
CID 111185592
N-[3-(ethylsulfonylamino)propyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111186409
4-(2-hydroxyphenyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111185932
N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111186120
4-(2-hydroxyphenyl)-N'-methyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 111185396
N-[2-[[C-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 111186056
4-(2-hydroxyphenyl)-N'-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111186234
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184981
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184191
4-(2-hydroxyphenyl)-N'-methyl-N-[2-(2-methylphenoxy)ethyl]piperazine-1-carboximidamide
CID 111184422
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111186066
4-(2-hydroxyphenyl)-N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperazine-1-carboximidamide
CID 111185104

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide (CID 111184772) is N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide is CCCCN/C(=N\C)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is ZUGGSAZFMUKGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-4-9-18-16(17-2)20-12-10-19(11-13-20)14-7-5-6-8-15(14)21/h5-8,21H,3-4,9-13H2,1-2H3,(H,17,18).
What are the key properties of N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide?
N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 290.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 111184772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).