3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide

C13H20N4 — CID 111023364

IUPAC3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2cccnc2)C1
InChIInChI=1S/C13H20N4/c1-11-4-3-7-17(10-11)13(14)16-9-12-5-2-6-15-8-12/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H2,14,16)
InChIKeyHPJNNPDYHXAWOG-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.63
Rot. Bonds2

About 3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide

3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide (PubChem CID 111023364) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
PubChem CID111023364
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2cccnc2)C1
InChIInChI=1S/C13H20N4/c1-11-4-3-7-17(10-11)13(14)16-9-12-5-2-6-15-8-12/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H2,14,16)
InChIKeyHPJNNPDYHXAWOG-UHFFFAOYSA-N
XLogP1.63
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.63
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'}

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Related Compounds

N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111023397
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111911277
3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063356
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
3-methyl-N'-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111047995
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394
N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111041610
N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053335
3-methyl-N'-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048077

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide (CID 111023364) is 3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Cc2cccnc2)C1.
What is the InChIKey of 3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is HPJNNPDYHXAWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-11-4-3-7-17(10-11)13(14)16-9-12-5-2-6-15-8-12/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H2,14,16).
What are the key properties of 3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide?
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 232.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111023364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).