ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate

C15H22N2O2 — CID 2800723

IUPACethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cccc(N)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(18)13-6-8-17(9-7-13)11-12-4-3-5-14(16)10-12/h3-5,10,13H,2,6-9,11,16H2,1H3
InChIKeyWXYBQSXOZUFNJY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.04
Rot. Bonds4

About ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate

ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate (PubChem CID 2800723) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
PubChem CID2800723
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cccc(N)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(18)13-6-8-17(9-7-13)11-12-4-3-5-14(16)10-12/h3-5,10,13H,2,6-9,11,16H2,1H3
InChIKeyWXYBQSXOZUFNJY-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate 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 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
ethyl 1-[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 25249218
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
ethyl 2-[4-[(3-aminophenyl)methyl]piperazin-1-yl]acetate
CID 22330214
[6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium
CID 140661185
ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 115879637
2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide
CID 54990221
ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 118347020
ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
CID 143159635
ethyl 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
CID 87929233
ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate
CID 3266236
ethyl 1-[(4-hydroxy-3-nitrophenyl)methyl]piperidine-4-carboxylate
CID 6456240

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate (CID 2800723) is ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cccc(N)c2)CC1.
What is the InChIKey of ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate?
The InChIKey is WXYBQSXOZUFNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-15(18)13-6-8-17(9-7-13)11-12-4-3-5-14(16)10-12/h3-5,10,13H,2,6-9,11,16H2,1H3.
What are the key properties of ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 2800723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).