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

C15H23N3O — CID 107912535

IUPAC2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCCC1CCCCN1C
InChIInChI=1S/C15H23N3O/c1-18-10-5-4-6-12(18)9-11-19-14-8-3-2-7-13(14)15(16)17/h2-3,7-8,12H,4-6,9-11H2,1H3,(H3,16,17)
InChIKeyQNPDTMRMVCKJLH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.22
Rot. Bonds5

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

2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide (PubChem CID 107912535) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
PubChem CID107912535
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCCC1CCCCN1C
InChIInChI=1S/C15H23N3O/c1-18-10-5-4-6-12(18)9-11-19-14-8-3-2-7-13(14)15(16)17/h2-3,7-8,12H,4-6,9-11H2,1H3,(H3,16,17)
InChIKeyQNPDTMRMVCKJLH-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-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912530
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 107930849
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 114893352
4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 81302746
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 23339385
ethyl 2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoate
CID 115547213
2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 104835031
1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
CID 23339554

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide (CID 107912535) is 2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for 2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1OCCC1CCCCN1C.
What is the InChIKey of 2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide?
The InChIKey is QNPDTMRMVCKJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18-10-5-4-6-12(18)9-11-19-14-8-3-2-7-13(14)15(16)17/h2-3,7-8,12H,4-6,9-11H2,1H3,(H3,16,17).
What are the key properties of 2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide?
2-[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 2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 107912535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).