ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate

C15H22N2O3 — CID 115935772

IUPACethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate
SMILESCCOC(=O)c1cccc(N)c1OC1CCN(C)CC1
InChIInChI=1S/C15H22N2O3/c1-3-19-15(18)12-5-4-6-13(16)14(12)20-11-7-9-17(2)10-8-11/h4-6,11H,3,7-10,16H2,1-2H3
InChIKeyGMCFURAYWKJHCW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.92
Rot. Bonds4

About ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate

ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate (PubChem CID 115935772) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate.

Molecular Properties

Compound Nameethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate
PubChem CID115935772
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate
SMILESCCOC(=O)c1cccc(N)c1OC1CCN(C)CC1
InChIInChI=1S/C15H22N2O3/c1-3-19-15(18)12-5-4-6-13(16)14(12)20-11-7-9-17(2)10-8-11/h4-6,11H,3,7-10,16H2,1-2H3
InChIKeyGMCFURAYWKJHCW-UHFFFAOYSA-N
XLogP1.92
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 117095909
ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate
CID 162773529
(1-methylpiperidin-4-yl) 3-amino-2-hydroxybenzoate
CID 113386626
ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate
CID 115933779
ethyl 3-amino-2-(4-fluorophenoxy)benzoate
CID 115935610
ethyl 3-amino-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate
CID 102740371
ethyl 3-amino-2-(2-ethylphenoxy)benzoate
CID 115935732
ethyl 3-amino-2-(3-methylphenoxy)benzoate
CID 115935608
3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107110675
ethyl 3-amino-2-(4-ethylpiperidin-1-yl)benzoate
CID 115934299
3-amino-2-cyclopentyloxybenzamide
CID 112579558
3-amino-2-(oxan-4-yloxy)benzoic acid
CID 84699973

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate?
The IUPAC name of ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate (CID 115935772) is ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate.
What is the SMILES notation for ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate?
The canonical SMILES for ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate is CCOC(=O)c1cccc(N)c1OC1CCN(C)CC1.
What is the InChIKey of ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate?
The InChIKey is GMCFURAYWKJHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-19-15(18)12-5-4-6-13(16)14(12)20-11-7-9-17(2)10-8-11/h4-6,11H,3,7-10,16H2,1-2H3.
What are the key properties of ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate?
ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate has a molecular weight of 278.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate is sourced from PubChem (CID 115935772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).