N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide

C19H25N3O2 — CID 109427617

IUPACN-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccco1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C19H25N3O2/c1-2-20-19(21-15-18-9-6-14-23-18)22-12-10-17(11-13-22)24-16-7-4-3-5-8-16/h3-9,14,17H,2,10-13,15H2,1H3,(H,20,21)
InChIKeySBEWJAPBIONADP-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.29
Rot. Bonds5

About N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide

N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109427617) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide
PubChem CID109427617
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccco1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C19H25N3O2/c1-2-20-19(21-15-18-9-6-14-23-18)22-12-10-17(11-13-22)24-16-7-4-3-5-8-16/h3-9,14,17H,2,10-13,15H2,1H3,(H,20,21)
InChIKeySBEWJAPBIONADP-UHFFFAOYSA-N
XLogP3.29
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.29
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)-2-pyrrolidin-1-ylethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109425746
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427545
N-ethyl-4-phenoxy-N'-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide
CID 109425734
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'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
CID 111958661
N'-[3-(dimethylamino)propyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427920
N-ethyl-4-phenoxy-N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide
CID 109427599
N-ethyl-N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426957
methyl 4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzoate;hydroiodide
CID 109425761
N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427283

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide (CID 109427617) is N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide is CCN/C(=N\Cc1ccco1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is SBEWJAPBIONADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-20-19(21-15-18-9-6-14-23-18)22-12-10-17(11-13-22)24-16-7-4-3-5-8-16/h3-9,14,17H,2,10-13,15H2,1H3,(H,20,21).
What are the key properties of N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide?
N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 327.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109427617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).