N-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C15H28IN5 — CID 111153085

IUPACN-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccnn1C)N1CC(C)CC(C)C1.I
InChIInChI=1S/C15H27N5.HI/c1-5-16-15(17-9-14-6-7-18-19(14)4)20-10-12(2)8-13(3)11-20;/h6-7,12-13H,5,8-11H2,1-4H3,(H,16,17);1H
InChIKeyQXXRQPNENNIXLQ-UHFFFAOYSA-N
MW405.33 g/mol
LogP2.48
Rot. Bonds3

About N-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide

N-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111153085) has the molecular formula C15H28IN5 and a molecular weight of 405.33 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111153085
Molecular FormulaC15H28IN5
Molecular Weight405.33 g/mol
Exact Mass405.14
IUPAC NameN-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccnn1C)N1CC(C)CC(C)C1.I
InChIInChI=1S/C15H27N5.HI/c1-5-16-15(17-9-14-6-7-18-19(14)4)20-10-12(2)8-13(3)11-20;/h6-7,12-13H,5,8-11H2,1-4H3,(H,16,17);1H
InChIKeyQXXRQPNENNIXLQ-UHFFFAOYSA-N
XLogP2.48
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 52.48
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-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485519
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111955626
N-ethyl-N'-[(4-hydroxyphenyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153338
ethyl 4-[N-ethyl-N'-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111162592
methyl 1-[N-ethyl-N'-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111253145
ethyl 1-[N-ethyl-N'-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994168
N-ethyl-N'-[(2-methylpyrazol-3-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111301280
4-(5-chloro-2-methylphenyl)-N-ethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111264206
N-ethyl-3,5-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide
CID 111154095
N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide
CID 111153497
N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide
CID 111154003
N-ethyl-3,5-dimethyl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide
CID 111154175

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111153085) is N-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1ccnn1C)N1CC(C)CC(C)C1.I.
What is the InChIKey of N-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is QXXRQPNENNIXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5.HI/c1-5-16-15(17-9-14-6-7-18-19(14)4)20-10-12(2)8-13(3)11-20;/h6-7,12-13H,5,8-11H2,1-4H3,(H,16,17);1H.
What are the key properties of N-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
N-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 405.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111153085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).