ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate

C16H23FN2O2 — CID 63383296

IUPACethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc(CN)cc2F)CC1
InChIInChI=1S/C16H23FN2O2/c1-2-21-16(20)13-5-7-19(8-6-13)11-14-4-3-12(10-18)9-15(14)17/h3-4,9,13H,2,5-8,10-11,18H2,1H3
InChIKeyWAVBTCKYNFHWNF-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.06
Rot. Bonds5

About ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate

ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate (PubChem CID 63383296) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
PubChem CID63383296
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nameethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc(CN)cc2F)CC1
InChIInChI=1S/C16H23FN2O2/c1-2-21-16(20)13-5-7-19(8-6-13)11-14-4-3-12(10-18)9-15(14)17/h3-4,9,13H,2,5-8,10-11,18H2,1H3
InChIKeyWAVBTCKYNFHWNF-UHFFFAOYSA-N
XLogP2.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate (CID 63383296) is ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccc(CN)cc2F)CC1.
What is the InChIKey of ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate?
The InChIKey is WAVBTCKYNFHWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-21-16(20)13-5-7-19(8-6-13)11-14-4-3-12(10-18)9-15(14)17/h3-4,9,13H,2,5-8,10-11,18H2,1H3.
What are the key properties of ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate?
ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 63383296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).