4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide

C22H32IN3O2 — CID 111510995

IUPAC4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)(O)c1ccco1)N1CCC(Cc2ccccc2)CC1.I
InChIInChI=1S/C22H31N3O2.HI/c1-3-23-21(24-17-22(2,26)20-10-7-15-27-20)25-13-11-19(12-14-25)16-18-8-5-4-6-9-18;/h4-10,15,19,26H,3,11-14,16-17H2,1-2H3,(H,23,24);1H
InChIKeyYPCPYEGLLJMMFY-UHFFFAOYSA-N
MW497.42 g/mol
LogP4.03
Rot. Bonds6

About 4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide

4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111510995) has the molecular formula C22H32IN3O2 and a molecular weight of 497.42 g/mol. Its IUPAC name is 4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111510995
Molecular FormulaC22H32IN3O2
Molecular Weight497.42 g/mol
Exact Mass497.15
IUPAC Name4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)(O)c1ccco1)N1CCC(Cc2ccccc2)CC1.I
InChIInChI=1S/C22H31N3O2.HI/c1-3-23-21(24-17-22(2,26)20-10-7-15-27-20)25-13-11-19(12-14-25)16-18-8-5-4-6-9-18;/h4-10,15,19,26H,3,11-14,16-17H2,1-2H3,(H,23,24);1H
InChIKeyYPCPYEGLLJMMFY-UHFFFAOYSA-N
XLogP4.03
TPSA61.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111152458
4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111152565
2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111152520
2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 111152485
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide
CID 111510558
4-benzyl-N-ethyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152663
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111671471
4-benzyl-N-ethyl-N'-(3-hydroxy-2-methylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152689
4-benzyl-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152641
4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide
CID 111152726
N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111152410
4-benzyl-N-ethyl-N'-(2-methylsulfonylethyl)piperidine-1-carboximidamide
CID 111152524

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide (CID 111510995) is 4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)(O)c1ccco1)N1CCC(Cc2ccccc2)CC1.I.
What is the InChIKey of 4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is YPCPYEGLLJMMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2.HI/c1-3-23-21(24-17-22(2,26)20-10-7-15-27-20)25-13-11-19(12-14-25)16-18-8-5-4-6-9-18;/h4-10,15,19,26H,3,11-14,16-17H2,1-2H3,(H,23,24);1H.
What are the key properties of 4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide?
4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 497.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111510995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).