ethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate

C15H20FNO2 — CID 57413499

IUPACethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate
SMILESCCOC(=O)C(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)14(17-10-4-3-5-11-17)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeyHURFHAANCWJCOK-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.92
Rot. Bonds4

About ethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate

ethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate (PubChem CID 57413499) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate
PubChem CID57413499
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate
SMILESCCOC(=O)C(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)14(17-10-4-3-5-11-17)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeyHURFHAANCWJCOK-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate (CID 57413499) is ethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate is CCOC(=O)C(c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate?
The InChIKey is HURFHAANCWJCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-19-15(18)14(17-10-4-3-5-11-17)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate?
ethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate has a molecular weight of 265.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-2-piperidin-1-ylacetate is sourced from PubChem (CID 57413499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).