5-methyl-2-piperidin-1-ylbenzenecarboximidamide

C13H19N3 — CID 107930307

IUPAC5-methyl-2-piperidin-1-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N1CCCCC1
InChIInChI=1S/C13H19N3/c1-10-5-6-12(11(9-10)13(14)15)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H3,14,15)
InChIKeyIJLJKINLOOKEMA-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.27
Rot. Bonds2

About 5-methyl-2-piperidin-1-ylbenzenecarboximidamide

5-methyl-2-piperidin-1-ylbenzenecarboximidamide (PubChem CID 107930307) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 5-methyl-2-piperidin-1-ylbenzenecarboximidamide.

Molecular Properties

Compound Name5-methyl-2-piperidin-1-ylbenzenecarboximidamide
PubChem CID107930307
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name5-methyl-2-piperidin-1-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N1CCCCC1
InChIInChI=1S/C13H19N3/c1-10-5-6-12(11(9-10)13(14)15)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H3,14,15)
InChIKeyIJLJKINLOOKEMA-UHFFFAOYSA-N
XLogP2.27
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
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

2-(azepan-1-yl)-4-methylbenzenecarboximidamide
CID 55057394
5-methyl-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide
CID 107930407
2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017272
5-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 107930632
2-(3,4-dihydroxypyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930636
2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017311
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylbenzenecarboximidamide
CID 107930498
2-(azocan-1-yl)benzenecarboximidamide
CID 28801457
2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930509
2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide
CID 62937438
5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 107930291
4-methyl-2-(1,4-oxazepan-4-yl)benzenecarboximidamide
CID 62973944

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-1-ylbenzenecarboximidamide?
The IUPAC name of 5-methyl-2-piperidin-1-ylbenzenecarboximidamide (CID 107930307) is 5-methyl-2-piperidin-1-ylbenzenecarboximidamide.
What is the SMILES notation for 5-methyl-2-piperidin-1-ylbenzenecarboximidamide?
The canonical SMILES for 5-methyl-2-piperidin-1-ylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1N1CCCCC1.
What is the InChIKey of 5-methyl-2-piperidin-1-ylbenzenecarboximidamide?
The InChIKey is IJLJKINLOOKEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10-5-6-12(11(9-10)13(14)15)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H3,14,15).
What are the key properties of 5-methyl-2-piperidin-1-ylbenzenecarboximidamide?
5-methyl-2-piperidin-1-ylbenzenecarboximidamide has a molecular weight of 217.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-1-ylbenzenecarboximidamide is sourced from PubChem (CID 107930307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).