ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate

C15H22N2O3 — CID 115933779

IUPACethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate
SMILESCCOC(=O)c1cccc(N)c1N1CCC(CO)CC1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(19)12-4-3-5-13(16)14(12)17-8-6-11(10-18)7-9-17/h3-5,11,18H,2,6-10,16H2,1H3
InChIKeySGWRJDWAZPMWAD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.65
Rot. Bonds4

About ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate

ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate (PubChem CID 115933779) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate
PubChem CID115933779
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate
SMILESCCOC(=O)c1cccc(N)c1N1CCC(CO)CC1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(19)12-4-3-5-13(16)14(12)17-8-6-11(10-18)7-9-17/h3-5,11,18H,2,6-10,16H2,1H3
InChIKeySGWRJDWAZPMWAD-UHFFFAOYSA-N
XLogP1.65
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-amino-2-(4-ethylpiperidin-1-yl)benzoate
CID 115934299
methyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate
CID 112577545
methyl 3-amino-2-(3-propylpyrrolidin-1-yl)benzoate
CID 113418468
ethyl 3-amino-2-(3,3-diethylpyrrolidin-1-yl)benzoate
CID 115935311
ethyl 3-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzoate
CID 103357703
ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate
CID 115934170
ethyl 3-methyl-2-pyrrolidin-1-ylbenzoate
CID 168513962
[1-(2,6-diethylphenyl)piperidin-4-yl]methanol
CID 117027938
ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate
CID 115935772
ethyl 3-amino-2-[cyclopropylmethyl(methyl)amino]benzoate
CID 112578270
ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate
CID 112579017
methyl 3-amino-2-morpholin-4-ylbenzoate
CID 112577589

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate?
The IUPAC name of ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate (CID 115933779) is ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate.
What is the SMILES notation for ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate?
The canonical SMILES for ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate is CCOC(=O)c1cccc(N)c1N1CCC(CO)CC1.
What is the InChIKey of ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate?
The InChIKey is SGWRJDWAZPMWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-15(19)12-4-3-5-13(16)14(12)17-8-6-11(10-18)7-9-17/h3-5,11,18H,2,6-10,16H2,1H3.
What are the key properties of ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate?
ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate has a molecular weight of 278.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate is sourced from PubChem (CID 115933779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).