4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide

C18H30N4O2 — CID 111185592

IUPAC4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NCCCCCOC)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H30N4O2/c1-19-18(20-10-6-3-7-15-24-2)22-13-11-21(12-14-22)16-8-4-5-9-17(16)23/h4-5,8-9,23H,3,6-7,10-15H2,1-2H3,(H,19,20)
InChIKeyORCOYOGIKBHUHI-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.91
Rot. Bonds7

About 4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide

4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 111185592) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID111185592
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NCCCCCOC)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H30N4O2/c1-19-18(20-10-6-3-7-15-24-2)22-13-11-21(12-14-22)16-8-4-5-9-17(16)23/h4-5,8-9,23H,3,6-7,10-15H2,1-2H3,(H,19,20)
InChIKeyORCOYOGIKBHUHI-UHFFFAOYSA-N
XLogP1.91
TPSA60.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111184772
4-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]-N'-methylpiperazine-1-carboximidamide
CID 111177522
N-(5-methoxypentyl)-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111290233
4-(2-hydroxyphenyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111185932
4-(3-chlorophenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111186560
N-(4-ethoxybutyl)-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133555
N-[2-[[C-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 111186056
4-(2-hydroxyphenyl)-N'-methyl-N-[2-(2-methylphenoxy)ethyl]piperazine-1-carboximidamide
CID 111184422
N-[3-(ethylsulfonylamino)propyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111186409
4-(2-hydroxyphenyl)-N'-methyl-N-[2-(3-methylbutoxy)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111185927
4-(2-hydroxyphenyl)-N'-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111186234
N-(2-methoxyethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961380

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of 4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide (CID 111185592) is 4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide is C/N=C(\NCCCCCOC)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is ORCOYOGIKBHUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-19-18(20-10-6-3-7-15-24-2)22-13-11-21(12-14-22)16-8-4-5-9-17(16)23/h4-5,8-9,23H,3,6-7,10-15H2,1-2H3,(H,19,20).
What are the key properties of 4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide?
4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 334.46 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 111185592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).