methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate

C16H24N2O2 — CID 60805783

IUPACmethyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate
SMILESCCN(Cc1cccc(C(=O)OC)c1)C1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-3-18(15-7-9-17-10-8-15)12-13-5-4-6-14(11-13)16(19)20-2/h4-6,11,15,17H,3,7-10,12H2,1-2H3
InChIKeyOHWFHFDBZVTUIV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.05
Rot. Bonds5

About methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate

methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate (PubChem CID 60805783) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate
PubChem CID60805783
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate
SMILESCCN(Cc1cccc(C(=O)OC)c1)C1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-3-18(15-7-9-17-10-8-15)12-13-5-4-6-14(11-13)16(19)20-2/h4-6,11,15,17H,3,7-10,12H2,1-2H3
InChIKeyOHWFHFDBZVTUIV-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]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

methyl 3-[[azepan-4-yl(ethyl)amino]methyl]benzoate;hydrochloride
CID 120844863
methyl 3-[[piperidin-4-yl(propyl)amino]methyl]benzoate;hydrochloride
CID 120835573
methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate
CID 63636262
3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 55214209
3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride
CID 119933024
methyl 3-[[piperidin-4-yl(propyl)sulfamoyl]methyl]benzoate;hydrochloride
CID 119994180
methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate
CID 60806955
methyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate
CID 60807301
methyl 3-(piperidin-4-ylsulfamoylmethyl)benzoate;hydrochloride
CID 119960840
N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923832
methyl 3-[[butyl(methyl)amino]methyl]benzoate
CID 78791084
3-[3-[[cyclopropyl(ethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 54974929

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate?
The IUPAC name of methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate (CID 60805783) is methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate.
What is the SMILES notation for methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate?
The canonical SMILES for methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate is CCN(Cc1cccc(C(=O)OC)c1)C1CCNCC1.
What is the InChIKey of methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate?
The InChIKey is OHWFHFDBZVTUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-18(15-7-9-17-10-8-15)12-13-5-4-6-14(11-13)16(19)20-2/h4-6,11,15,17H,3,7-10,12H2,1-2H3.
What are the key properties of methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate?
methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate has a molecular weight of 276.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate is sourced from PubChem (CID 60805783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).