N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C13H23IN4O — CID 111078920

IUPACN'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCc1nc(C/N=C(\N)N2CCCC(C)C2)oc1C.I
InChIInChI=1S/C13H22N4O.HI/c1-9-5-4-6-17(8-9)13(14)15-7-12-16-10(2)11(3)18-12;/h9H,4-8H2,1-3H3,(H2,14,15);1H
InChIKeyNRHDMCZAKHFWBT-UHFFFAOYSA-N
MW378.26 g/mol
LogP2.46
Rot. Bonds2

About N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111078920) has the molecular formula C13H23IN4O and a molecular weight of 378.26 g/mol. Its IUPAC name is N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111078920
Molecular FormulaC13H23IN4O
Molecular Weight378.26 g/mol
Exact Mass378.09
IUPAC NameN'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCc1nc(C/N=C(\N)N2CCCC(C)C2)oc1C.I
InChIInChI=1S/C13H22N4O.HI/c1-9-5-4-6-17(8-9)13(14)15-7-12-16-10(2)11(3)18-12;/h9H,4-8H2,1-3H3,(H2,14,15);1H
InChIKeyNRHDMCZAKHFWBT-UHFFFAOYSA-N
XLogP2.46
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 52.46
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[(2,5-dimethylfuran-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111813204
N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111817351
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111143968
tert-butyl 4-[N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111078932
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 109431100
N'-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]azepane-1-carboximidamide;hydroiodide
CID 86779293
N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111022379
N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 122098058
methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate
CID 119119295
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111065039
N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111051628

Frequently Asked Questions

What is the IUPAC name of N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111078920) is N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is Cc1nc(C/N=C(\N)N2CCCC(C)C2)oc1C.I.
What is the InChIKey of N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is NRHDMCZAKHFWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.HI/c1-9-5-4-6-17(8-9)13(14)15-7-12-16-10(2)11(3)18-12;/h9H,4-8H2,1-3H3,(H2,14,15);1H.
What are the key properties of N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 378.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111078920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).