3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide

C12H22IN5 — CID 111074838

IUPAC3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CCn2cccn2)C1.I
InChIInChI=1S/C12H21N5.HI/c1-11-4-2-7-16(10-11)12(13)14-6-9-17-8-3-5-15-17;/h3,5,8,11H,2,4,6-7,9-10H2,1H3,(H2,13,14);1H
InChIKeyYPAXTWCRGCKPQN-UHFFFAOYSA-N
MW363.25 g/mol
LogP1.55
Rot. Bonds3

About 3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide

3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111074838) has the molecular formula C12H22IN5 and a molecular weight of 363.25 g/mol. Its IUPAC name is 3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111074838
Molecular FormulaC12H22IN5
Molecular Weight363.25 g/mol
Exact Mass363.09
IUPAC Name3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CCn2cccn2)C1.I
InChIInChI=1S/C12H21N5.HI/c1-11-4-2-7-16(10-11)12(13)14-6-9-17-8-3-5-15-17;/h3,5,8,11H,2,4,6-7,9-10H2,1H3,(H2,13,14);1H
InChIKeyYPAXTWCRGCKPQN-UHFFFAOYSA-N
XLogP1.55
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 51.55
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

4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110920838
3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111038144
3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 111806202
N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide
CID 111143810
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063356
N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111022707
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide (CID 111074838) is 3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/CCn2cccn2)C1.I.
What is the InChIKey of 3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is YPAXTWCRGCKPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5.HI/c1-11-4-2-7-16(10-11)12(13)14-6-9-17-8-3-5-15-17;/h3,5,8,11H,2,4,6-7,9-10H2,1H3,(H2,13,14);1H.
What are the key properties of 3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide?
3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 363.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111074838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).