N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide

C21H31IN4O2 — CID 111363350

IUPACN-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ccco1)N1CCN(CCOc2ccccc2)CC1.I
InChIInChI=1S/C21H30N4O2.HI/c1-2-22-21(23-11-10-20-9-6-17-26-20)25-14-12-24(13-15-25)16-18-27-19-7-4-3-5-8-19;/h3-9,17H,2,10-16,18H2,1H3,(H,22,23);1H
InChIKeyUTQXIINKSLEAKI-UHFFFAOYSA-N
MW498.41 g/mol
LogP3.10
Rot. Bonds8

About N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111363350) has the molecular formula C21H31IN4O2 and a molecular weight of 498.41 g/mol. Its IUPAC name is N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111363350
Molecular FormulaC21H31IN4O2
Molecular Weight498.41 g/mol
Exact Mass498.15
IUPAC NameN-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ccco1)N1CCN(CCOc2ccccc2)CC1.I
InChIInChI=1S/C21H30N4O2.HI/c1-2-22-21(23-11-10-20-9-6-17-26-20)25-14-12-24(13-15-25)16-18-27-19-7-4-3-5-8-19;/h3-9,17H,2,10-16,18H2,1H3,(H,22,23);1H
InChIKeyUTQXIINKSLEAKI-UHFFFAOYSA-N
XLogP3.10
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide
CID 111363367
N-[2-[[ethylamino-[4-(2-phenoxyethyl)piperazin-1-yl]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111363362
4-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide
CID 111419615
4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
CID 111958661
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide
CID 111363347
2-[4-[N-ethyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 111366625
N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide
CID 110060781
4-benzyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide
CID 136925072
ethyl 4-[N-ethyl-N'-(2-phenoxyethyl)carbamimidoyl]piperazine-1-carboxylate
CID 111163475
N-ethyl-N'-(2-phenoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219578
N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide
CID 109427617
N-ethyl-4-(furan-2-carbonyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111166124

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide (CID 111363350) is N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1ccco1)N1CCN(CCOc2ccccc2)CC1.I.
What is the InChIKey of N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is UTQXIINKSLEAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2.HI/c1-2-22-21(23-11-10-20-9-6-17-26-20)25-14-12-24(13-15-25)16-18-27-19-7-4-3-5-8-19;/h3-9,17H,2,10-16,18H2,1H3,(H,22,23);1H.
What are the key properties of N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 498.41 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111363350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).