3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide

C15H23N3O — CID 107912530

IUPAC3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCCC2CCCCN2C)c1
InChIInChI=1S/C15H23N3O/c1-18-9-3-2-6-13(18)8-10-19-14-7-4-5-12(11-14)15(16)17/h4-5,7,11,13H,2-3,6,8-10H2,1H3,(H3,16,17)
InChIKeyFQEMABYRGKXJPA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.22
Rot. Bonds5

About 3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide

3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide (PubChem CID 107912530) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
PubChem CID107912530
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCCC2CCCCN2C)c1
InChIInChI=1S/C15H23N3O/c1-18-9-3-2-6-13(18)8-10-19-14-7-4-5-12(11-14)15(16)17/h4-5,7,11,13H,2-3,6,8-10H2,1H3,(H3,16,17)
InChIKeyFQEMABYRGKXJPA-UHFFFAOYSA-N
XLogP2.22
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.22
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

3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912535
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
(1R)-1-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912832
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
CID 107913344
3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936
3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913130
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of 3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide (CID 107912530) is 3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for 3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(OCCC2CCCCN2C)c1.
What is the InChIKey of 3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide?
The InChIKey is FQEMABYRGKXJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18-9-3-2-6-13(18)8-10-19-14-7-4-5-12(11-14)15(16)17/h4-5,7,11,13H,2-3,6,8-10H2,1H3,(H3,16,17).
What are the key properties of 3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide?
3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 107912530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).