2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide

C14H21N3O — CID 114017311

IUPAC2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N1CCCC(OC)C1
InChIInChI=1S/C14H21N3O/c1-10-5-6-13(12(8-10)14(15)16)17-7-3-4-11(9-17)18-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H3,15,16)
InChIKeyIPIXFKOWMMRJFK-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.89
Rot. Bonds3

About 2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide

2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide (PubChem CID 114017311) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide
PubChem CID114017311
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N1CCCC(OC)C1
InChIInChI=1S/C14H21N3O/c1-10-5-6-13(12(8-10)14(15)16)17-7-3-4-11(9-17)18-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H3,15,16)
InChIKeyIPIXFKOWMMRJFK-UHFFFAOYSA-N
XLogP1.89
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017272
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylbenzenecarboximidamide
CID 107930498
5-methyl-2-piperidin-1-ylbenzenecarboximidamide
CID 107930307
2-(3,4-dihydroxypyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930636
4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 62306922
2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
CID 102958478
2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide
CID 63668655
2-(3-ethoxypiperidin-1-yl)-5-methylbenzenecarbothioamide
CID 107928760
5-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 107930632
5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 102958460
5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 107930291
2-(3-methoxycyclohexyl)oxy-5-methylbenzenecarboximidamide
CID 107930837

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide (CID 114017311) is 2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1N1CCCC(OC)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide?
The InChIKey is IPIXFKOWMMRJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-6-13(12(8-10)14(15)16)17-7-3-4-11(9-17)18-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H3,15,16).
What are the key properties of 2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide?
2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide is sourced from PubChem (CID 114017311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).