4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide

C15H23N3O2 — CID 81302746

IUPAC4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OCC1CCCCN1C
InChIInChI=1S/C15H23N3O2/c1-18-8-4-3-5-11(18)10-20-14-9-12(19-2)6-7-13(14)15(16)17/h6-7,9,11H,3-5,8,10H2,1-2H3,(H3,16,17)
InChIKeyYVWBOAZFVAEORG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.84
Rot. Bonds5

About 4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide

4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide (PubChem CID 81302746) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
PubChem CID81302746
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OCC1CCCCN1C
InChIInChI=1S/C15H23N3O2/c1-18-8-4-3-5-11(18)10-20-14-9-12(19-2)6-7-13(14)15(16)17/h6-7,9,11H,3-5,8,10H2,1-2H3,(H3,16,17)
InChIKeyYVWBOAZFVAEORG-UHFFFAOYSA-N
XLogP1.84
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 107930849
5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 114893352
2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303122
2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912535
2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303118
2,4-dimethoxybenzenecarboximidamide
CID 4138242
4-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 114903767
1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone
CID 103801800
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81302848

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide (CID 81302746) is 4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1OCC1CCCCN1C.
What is the InChIKey of 4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide?
The InChIKey is YVWBOAZFVAEORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-8-4-3-5-11(18)10-20-14-9-12(19-2)6-7-13(14)15(16)17/h6-7,9,11H,3-5,8,10H2,1-2H3,(H3,16,17).
What are the key properties of 4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide?
4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 81302746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).