ethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate

C15H20FNO2 — CID 56741227

IUPACethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2F)CCCNC1
InChIInChI=1S/C15H20FNO2/c1-2-19-14(18)15(8-5-9-17-11-15)10-12-6-3-4-7-13(12)16/h3-4,6-7,17H,2,5,8-11H2,1H3
InChIKeyBDUBNTOQGSTNIW-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.30
Rot. Bonds4

About ethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate

ethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate (PubChem CID 56741227) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate
PubChem CID56741227
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2F)CCCNC1
InChIInChI=1S/C15H20FNO2/c1-2-19-14(18)15(8-5-9-17-11-15)10-12-6-3-4-7-13(12)16/h3-4,6-7,17H,2,5,8-11H2,1H3
InChIKeyBDUBNTOQGSTNIW-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[(2-fluorophenyl)methyl]piperidine-3-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 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate (CID 56741227) is ethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1(Cc2ccccc2F)CCCNC1.
What is the InChIKey of ethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate?
The InChIKey is BDUBNTOQGSTNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-19-14(18)15(8-5-9-17-11-15)10-12-6-3-4-7-13(12)16/h3-4,6-7,17H,2,5,8-11H2,1H3.
What are the key properties of ethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate?
ethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 56741227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).