N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide

C18H28N4O2 — CID 111186184

IUPACN-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCO1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H28N4O2/c1-2-19-18(20-14-15-6-5-13-24-15)22-11-9-21(10-12-22)16-7-3-4-8-17(16)23/h3-4,7-8,15,23H,2,5-6,9-14H2,1H3,(H,19,20)
InChIKeyWZISVOHZTODITI-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.66
Rot. Bonds4

About N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide

N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide (PubChem CID 111186184) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide
PubChem CID111186184
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCO1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H28N4O2/c1-2-19-18(20-14-15-6-5-13-24-15)22-11-9-21(10-12-22)16-7-3-4-8-17(16)23/h3-4,7-8,15,23H,2,5-6,9-14H2,1H3,(H,19,20)
InChIKeyWZISVOHZTODITI-UHFFFAOYSA-N
XLogP1.66
TPSA60.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-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'-(cyclopropylmethyl)-N-ethyl-4-(2-hydroxyphenyl)piperazine-1-carboximidamide
CID 111184808
N-ethyl-4-(4-fluorophenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111165912
N-ethyl-4-(2-methoxyphenyl)-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111132732
4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 109415269
N'-(3-butoxypropyl)-N-ethyl-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111185673
N-ethyl-4-(2-hydroxyphenyl)-N'-[2-(4-methylpiperidin-1-yl)ethyl]piperazine-1-carboximidamide
CID 111186028
N'-[2-[cyclopropyl(ethyl)amino]ethyl]-N-ethyl-4-(2-hydroxyphenyl)piperazine-1-carboximidamide
CID 111185870
N-[2-[[ethylamino-[4-(2-hydroxyphenyl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111184699
N-ethyl-N'-[(2-phenyloxan-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956733
N-ethyl-N'-(furan-2-ylmethyl)-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111186043
4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide
CID 110960237
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111185271

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide (CID 111186184) is N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide is CCN/C(=N\CC1CCCO1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide?
The InChIKey is WZISVOHZTODITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-19-18(20-14-15-6-5-13-24-15)22-11-9-21(10-12-22)16-7-3-4-8-17(16)23/h3-4,7-8,15,23H,2,5-6,9-14H2,1H3,(H,19,20).
What are the key properties of N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide?
N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide has a molecular weight of 332.45 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111186184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).