5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide

C15H23N3O — CID 107930849

IUPAC5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1OCC1CCCCN1C
InChIInChI=1S/C15H23N3O/c1-11-6-7-14(13(9-11)15(16)17)19-10-12-5-3-4-8-18(12)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H3,16,17)
InChIKeyRXFIQUKQYNODTK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.14
Rot. Bonds4

About 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide

5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide (PubChem CID 107930849) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
PubChem CID107930849
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1OCC1CCCCN1C
InChIInChI=1S/C15H23N3O/c1-11-6-7-14(13(9-11)15(16)17)19-10-12-5-3-4-8-18(12)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H3,16,17)
InChIKeyRXFIQUKQYNODTK-UHFFFAOYSA-N
XLogP2.14
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.14
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

5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 114893352
2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
CID 107930853
4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 81302746
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472061
5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline
CID 67256044
2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912535
4-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 114903767
3-bromo-4-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 82805149
4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide
CID 62306797
5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338983
5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114017325
3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 112648511

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide?
The IUPAC name of 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide (CID 107930849) is 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1OCC1CCCCN1C.
What is the InChIKey of 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide?
The InChIKey is RXFIQUKQYNODTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-6-7-14(13(9-11)15(16)17)19-10-12-5-3-4-8-18(12)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H3,16,17).
What are the key properties of 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide?
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 107930849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).