4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide

C16H27N3O2 — CID 111958661

IUPAC4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccco1)N1CCC(OCC)CC1
InChIInChI=1S/C16H27N3O2/c1-3-17-16(18-10-7-14-6-5-13-21-14)19-11-8-15(9-12-19)20-4-2/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,17,18)
InChIKeyIEBCXZFFIRPTDE-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.29
Rot. Bonds6

About 4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide

4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide (PubChem CID 111958661) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
PubChem CID111958661
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccco1)N1CCC(OCC)CC1
InChIInChI=1S/C16H27N3O2/c1-3-17-16(18-10-7-14-6-5-13-21-14)19-11-8-15(9-12-19)20-4-2/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,17,18)
InChIKeyIEBCXZFFIRPTDE-UHFFFAOYSA-N
XLogP2.29
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449925
N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959364
4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111959018
N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide
CID 109427617
N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
CID 111959163
2-[4-[N-ethyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 111366625
4-ethoxy-N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111958119
N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide
CID 111363350
N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 110056980
N-ethyl-N'-(furan-2-ylmethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449548
4-ethoxy-N-ethyl-N'-(3-phenylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111958824
N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide
CID 111958483

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide (CID 111958661) is 4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide is CCN/C(=N\CCc1ccco1)N1CCC(OCC)CC1.
What is the InChIKey of 4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide?
The InChIKey is IEBCXZFFIRPTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-17-16(18-10-7-14-6-5-13-21-14)19-11-8-15(9-12-19)20-4-2/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,17,18).
What are the key properties of 4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide?
4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide has a molecular weight of 293.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111958661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).