ethyl 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate

C15H20FNO2 — CID 2838709

IUPACethyl 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)14-8-3-4-9-17(14)11-12-6-5-7-13(16)10-12/h5-7,10,14H,2-4,8-9,11H2,1H3
InChIKeySMAUWOWLRGQSAK-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.74
Rot. Bonds4

About ethyl 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate

ethyl 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate (PubChem CID 2838709) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
PubChem CID2838709
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)14-8-3-4-9-17(14)11-12-6-5-7-13(16)10-12/h5-7,10,14H,2-4,8-9,11H2,1H3
InChIKeySMAUWOWLRGQSAK-UHFFFAOYSA-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

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CID 72064
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CID 15297227
Piprocurarium Iodide
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Ethyl 1-benzylpiperidine-2-carboxylate
CID 2838690
Methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
N-Benzyl-L-proline ethyl ester
CID 688177
Ethyl 1-(3,4-difluorobenzyl)-4-piperidinecarboxylate
CID 764426
Ethyl 1-(2,4-difluorobenzyl)-4-piperidinecarboxylate
CID 2056099
Ethyl 1-(4-fluorobenzyl)-2-piperidinecarboxylate
CID 2837997
Ethyl 1-(2-fluorobenzyl)piperidine-3-carboxylate
CID 2838130
Ethyl 1-[2-(trifluoromethyl)benzyl]-2-piperidinecarboxylate
CID 3246748

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate (CID 2838709) is ethyl 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1cccc(F)c1.
What is the InChIKey of ethyl 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate?
The InChIKey is SMAUWOWLRGQSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-19-15(18)14-8-3-4-9-17(14)11-12-6-5-7-13(16)10-12/h5-7,10,14H,2-4,8-9,11H2,1H3.
What are the key properties of ethyl 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate?
ethyl 1-[(3-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 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 2838709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).