ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate

C14H18FNO3 — CID 90367821

IUPACethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate
SMILESCCOC(=O)c1ccc(C2(F)CCN(O)CC2)cc1
InChIInChI=1S/C14H18FNO3/c1-2-19-13(17)11-3-5-12(6-4-11)14(15)7-9-16(18)10-8-14/h3-6,18H,2,7-10H2,1H3
InChIKeyKERURAXWSCLCTO-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.51
Rot. Bonds3

About ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate

ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate (PubChem CID 90367821) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate
PubChem CID90367821
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nameethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate
SMILESCCOC(=O)c1ccc(C2(F)CCN(O)CC2)cc1
InChIInChI=1S/C14H18FNO3/c1-2-19-13(17)11-3-5-12(6-4-11)14(15)7-9-16(18)10-8-14/h3-6,18H,2,7-10H2,1H3
InChIKeyKERURAXWSCLCTO-UHFFFAOYSA-N
XLogP2.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 4-[7-(4-ethoxycarbonylphenyl)-7-bicyclo[2.2.1]heptanyl]benzoate
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ethyl 4-[(4-fluoro-4-formylpiperidin-1-yl)methyl]benzoate
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ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
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ethyl 4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]benzoate
CID 171701426
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 4-(2-fluoroprop-2-enoyl)benzoate
CID 11253028
ethyl 4-methylbenzoate;hydrochloride
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ethyl 4-aminobenzoate
CID 2337
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate?
The IUPAC name of ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate (CID 90367821) is ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate.
What is the SMILES notation for ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate?
The canonical SMILES for ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate is CCOC(=O)c1ccc(C2(F)CCN(O)CC2)cc1.
What is the InChIKey of ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate?
The InChIKey is KERURAXWSCLCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-19-13(17)11-3-5-12(6-4-11)14(15)7-9-16(18)10-8-14/h3-6,18H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate?
ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate has a molecular weight of 267.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate is sourced from PubChem (CID 90367821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).