1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol

C15H22FNO2 — CID 90151780

IUPAC1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol
SMILESCCOc1ccc(F)c(N2CCC(O)C(CC)C2)c1
InChIInChI=1S/C15H22FNO2/c1-3-11-10-17(8-7-15(11)18)14-9-12(19-4-2)5-6-13(14)16/h5-6,9,11,15,18H,3-4,7-8,10H2,1-2H3
InChIKeyICVGFORTVFBKPR-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.82
Rot. Bonds4

About 1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol

1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol (PubChem CID 90151780) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol
PubChem CID90151780
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol
SMILESCCOc1ccc(F)c(N2CCC(O)C(CC)C2)c1
InChIInChI=1S/C15H22FNO2/c1-3-11-10-17(8-7-15(11)18)14-9-12(19-4-2)5-6-13(14)16/h5-6,9,11,15,18H,3-4,7-8,10H2,1-2H3
InChIKeyICVGFORTVFBKPR-UHFFFAOYSA-N
XLogP2.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol?
The IUPAC name of 1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol (CID 90151780) is 1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol.
What is the SMILES notation for 1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol?
The canonical SMILES for 1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol is CCOc1ccc(F)c(N2CCC(O)C(CC)C2)c1.
What is the InChIKey of 1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol?
The InChIKey is ICVGFORTVFBKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-3-11-10-17(8-7-15(11)18)14-9-12(19-4-2)5-6-13(14)16/h5-6,9,11,15,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol?
1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol has a molecular weight of 267.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol is sourced from PubChem (CID 90151780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).