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

C15H20FNO2 — CID 764903

IUPACethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1Cc1ccccc1F
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)14-9-5-6-10-17(14)11-12-7-3-4-8-13(12)16/h3-4,7-8,14H,2,5-6,9-11H2,1H3/t14-/m0/s1
InChIKeyQJJDFZNLVOZAAY-AWEZNQCLSA-N
MW265.33 g/mol
LogP2.74
Rot. Bonds4

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

ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate (PubChem CID 764903) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
PubChem CID764903
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1Cc1ccccc1F
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)14-9-5-6-10-17(14)11-12-7-3-4-8-13(12)16/h3-4,7-8,14H,2,5-6,9-11H2,1H3/t14-/m0/s1
InChIKeyQJJDFZNLVOZAAY-AWEZNQCLSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-1-[(2,4-difluorophenyl)methyl]piperidine-2-carboxylate
CID 763684
ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate
CID 6938215
ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxylate
CID 115538699
ethyl 1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 62013058
ethyl (2R)-1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
CID 765373
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
CID 113219671
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate
CID 2838370
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
CID 2838481

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate (CID 764903) is ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCCCN1Cc1ccccc1F.
What is the InChIKey of ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate?
The InChIKey is QJJDFZNLVOZAAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-19-15(18)14-9-5-6-10-17(14)11-12-7-3-4-8-13(12)16/h3-4,7-8,14H,2,5-6,9-11H2,1H3/t14-/m0/s1.
What are the key properties of ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate?
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 764903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).