ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate

C15H20FNO2 — CID 2838099

IUPACethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)13-4-3-9-17(11-13)10-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3
InChIKeyHAJJREGFCZYOOJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.60
Rot. Bonds4

About ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate

ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate (PubChem CID 2838099) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate
PubChem CID2838099
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)13-4-3-9-17(11-13)10-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3
InChIKeyHAJJREGFCZYOOJ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate (CID 2838099) is ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate?
The InChIKey is HAJJREGFCZYOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-19-15(18)13-4-3-9-17(11-13)10-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3.
What are the key properties of ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate?
ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 2838099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).