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

C14H24IN3O2 — CID 111465179

IUPACN'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CC(C)(O)c2ccco2)CC1.I
InChIInChI=1S/C14H23N3O2.HI/c1-11-5-7-17(8-6-11)13(15)16-10-14(2,18)12-4-3-9-19-12;/h3-4,9,11,18H,5-8,10H2,1-2H3,(H2,15,16);1H
InChIKeySLVQQAMNOURUIU-UHFFFAOYSA-N
MW393.27 g/mol
LogP2.15
Rot. Bonds3

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

N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111465179) has the molecular formula C14H24IN3O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111465179
Molecular FormulaC14H24IN3O2
Molecular Weight393.27 g/mol
Exact Mass393.09
IUPAC NameN'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CC(C)(O)c2ccco2)CC1.I
InChIInChI=1S/C14H23N3O2.HI/c1-11-5-7-17(8-6-11)13(15)16-10-14(2,18)12-4-3-9-19-12;/h3-4,9,11,18H,5-8,10H2,1-2H3,(H2,15,16);1H
InChIKeySLVQQAMNOURUIU-UHFFFAOYSA-N
XLogP2.15
TPSA74.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 52.15
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

N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920430
ethyl 4-[[N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111819942
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylpiperidine-1-carboximidamide
CID 110920365
4-methyl-N'-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111111877
N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111823571
4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide
CID 111510995
N'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111823807
[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133323844
4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide
CID 111601356
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111672065
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 111465179) is N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CC(C)(O)c2ccco2)CC1.I.
What is the InChIKey of N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is SLVQQAMNOURUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.HI/c1-11-5-7-17(8-6-11)13(15)16-10-14(2,18)12-4-3-9-19-12;/h3-4,9,11,18H,5-8,10H2,1-2H3,(H2,15,16);1H.
What are the key properties of N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 393.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111465179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).