N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide

C12H20IN3O — CID 111022379

IUPACN'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/Cc2ccco2)C1.I
InChIInChI=1S/C12H19N3O.HI/c1-10-4-2-6-15(9-10)12(13)14-8-11-5-3-7-16-11;/h3,5,7,10H,2,4,6,8-9H2,1H3,(H2,13,14);1H
InChIKeyQJWOFCYQBSXZKR-UHFFFAOYSA-N
MW349.22 g/mol
LogP2.44
Rot. Bonds2

About N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111022379) has the molecular formula C12H20IN3O and a molecular weight of 349.22 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111022379
Molecular FormulaC12H20IN3O
Molecular Weight349.22 g/mol
Exact Mass349.07
IUPAC NameN'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/Cc2ccco2)C1.I
InChIInChI=1S/C12H19N3O.HI/c1-10-4-2-6-15(9-10)12(13)14-8-11-5-3-7-16-11;/h3,5,7,10H,2,4,6,8-9H2,1H3,(H2,13,14);1H
InChIKeyQJWOFCYQBSXZKR-UHFFFAOYSA-N
XLogP2.44
TPSA54.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739
N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111065039
N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 122098058
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053491
N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111036311
3-methyl-N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111820137
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063224
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394
N'-[(2,5-dimethylfuran-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111813204

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111022379) is N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/Cc2ccco2)C1.I.
What is the InChIKey of N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is QJWOFCYQBSXZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.HI/c1-10-4-2-6-15(9-10)12(13)14-8-11-5-3-7-16-11;/h3,5,7,10H,2,4,6,8-9H2,1H3,(H2,13,14);1H.
What are the key properties of N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 349.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111022379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).