methyl 5-fluoro-2-piperidin-4-yloxybenzoate

C13H16FNO3 — CID 67531332

IUPACmethyl 5-fluoro-2-piperidin-4-yloxybenzoate
SMILESCOC(=O)c1cc(F)ccc1OC1CCNCC1
InChIInChI=1S/C13H16FNO3/c1-17-13(16)11-8-9(14)2-3-12(11)18-10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3
InChIKeyCBRMVQMOLUFXNX-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.74
Rot. Bonds3

About methyl 5-fluoro-2-piperidin-4-yloxybenzoate

methyl 5-fluoro-2-piperidin-4-yloxybenzoate (PubChem CID 67531332) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is methyl 5-fluoro-2-piperidin-4-yloxybenzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-piperidin-4-yloxybenzoate
PubChem CID67531332
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Namemethyl 5-fluoro-2-piperidin-4-yloxybenzoate
SMILESCOC(=O)c1cc(F)ccc1OC1CCNCC1
InChIInChI=1S/C13H16FNO3/c1-17-13(16)11-8-9(14)2-3-12(11)18-10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3
InChIKeyCBRMVQMOLUFXNX-UHFFFAOYSA-N
XLogP1.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-piperidin-4-yloxybenzoate?
The IUPAC name of methyl 5-fluoro-2-piperidin-4-yloxybenzoate (CID 67531332) is methyl 5-fluoro-2-piperidin-4-yloxybenzoate.
What is the SMILES notation for methyl 5-fluoro-2-piperidin-4-yloxybenzoate?
The canonical SMILES for methyl 5-fluoro-2-piperidin-4-yloxybenzoate is COC(=O)c1cc(F)ccc1OC1CCNCC1.
What is the InChIKey of methyl 5-fluoro-2-piperidin-4-yloxybenzoate?
The InChIKey is CBRMVQMOLUFXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-17-13(16)11-8-9(14)2-3-12(11)18-10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3.
What are the key properties of methyl 5-fluoro-2-piperidin-4-yloxybenzoate?
methyl 5-fluoro-2-piperidin-4-yloxybenzoate has a molecular weight of 253.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-piperidin-4-yloxybenzoate is sourced from PubChem (CID 67531332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).