3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide

C14H21N3O — CID 107110675

IUPAC3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1OC1CCN(C)CC1
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-12(14(15)16)13(10)18-11-6-8-17(2)9-7-11/h3-5,11H,6-9H2,1-2H3,(H3,15,16)
InChIKeyAQMOJJIHJDOVPE-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.75
Rot. Bonds3

About 3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide

3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide (PubChem CID 107110675) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
PubChem CID107110675
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1OC1CCN(C)CC1
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-12(14(15)16)13(10)18-11-6-8-17(2)9-7-11/h3-5,11H,6-9H2,1-2H3,(H3,15,16)
InChIKeyAQMOJJIHJDOVPE-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
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-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride
CID 82240674
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 55154725
2-bromo-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107279600
3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 107110265
2-cyclohexyloxy-3-methoxybenzenecarboximidamide
CID 82253454
ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate
CID 115935772
2-butoxy-3-methylbenzenecarboximidamide
CID 107110644
3-bromo-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 82799029
(2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide
CID 94413323
1-(2-cyclopentyloxy-3-methylphenyl)ethanone
CID 82079338
2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110587
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide
CID 107110287

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide?
The IUPAC name of 3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide (CID 107110675) is 3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide.
What is the SMILES notation for 3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide?
The canonical SMILES for 3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1OC1CCN(C)CC1.
What is the InChIKey of 3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide?
The InChIKey is AQMOJJIHJDOVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-4-3-5-12(14(15)16)13(10)18-11-6-8-17(2)9-7-11/h3-5,11H,6-9H2,1-2H3,(H3,15,16).
What are the key properties of 3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide?
3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide is sourced from PubChem (CID 107110675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).