Ethyl 3-(4-fluorobenzyl)piperidine-3-carboxylate

C15H20FNO2 — CID 5244024

IUPACethyl 3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCCNC1)CC2=CC=C(C=C2)F
InChIInChI=1S/C15H20FNO2/c1-2-19-14(18)15(8-3-9-17-11-15)10-12-4-6-13(16)7-5-12/h4-7,17H,2-3,8-11H2,1H3
InChIKeyGJYDNNXEQGWQGV-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.40
Rot. Bonds5

About Ethyl 3-(4-fluorobenzyl)piperidine-3-carboxylate

Ethyl 3-(4-fluorobenzyl)piperidine-3-carboxylate (PubChem CID 5244024) has the molecular formula C15H20FNO2 and a molecular weight of 265.32 g/mol. Its IUPAC name is ethyl 3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound NameEthyl 3-(4-fluorobenzyl)piperidine-3-carboxylate
PubChem CID5244024
Molecular FormulaC15H20FNO2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Nameethyl 3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCCNC1)CC2=CC=C(C=C2)F
InChIInChI=1S/C15H20FNO2/c1-2-19-14(18)15(8-3-9-17-11-15)10-12-4-6-13(16)7-5-12/h4-7,17H,2-3,8-11H2,1H3
InChIKeyGJYDNNXEQGWQGV-UHFFFAOYSA-N
XLogP2.40
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity303

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Ethyl 3-(4-fluorobenzyl)piperidine-3-carboxylate?
The IUPAC name of Ethyl 3-(4-fluorobenzyl)piperidine-3-carboxylate (CID 5244024) is ethyl 3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for Ethyl 3-(4-fluorobenzyl)piperidine-3-carboxylate?
The canonical SMILES for Ethyl 3-(4-fluorobenzyl)piperidine-3-carboxylate is CCOC(=O)C1(CCCNC1)CC2=CC=C(C=C2)F.
What is the InChIKey of Ethyl 3-(4-fluorobenzyl)piperidine-3-carboxylate?
The InChIKey is GJYDNNXEQGWQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-19-14(18)15(8-3-9-17-11-15)10-12-4-6-13(16)7-5-12/h4-7,17H,2-3,8-11H2,1H3.
What are the key properties of Ethyl 3-(4-fluorobenzyl)piperidine-3-carboxylate?
Ethyl 3-(4-fluorobenzyl)piperidine-3-carboxylate has a molecular weight of 265.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 3-(4-fluorobenzyl)piperidine-3-carboxylate is sourced from PubChem (CID 5244024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).