methyl 5-fluoro-2-(piperidin-4-ylmethoxy)benzoate

C14H18FNO3 — CID 71077869

IUPACmethyl 5-fluoro-2-(piperidin-4-ylmethoxy)benzoate
SMILESCOC(=O)c1cc(F)ccc1OCC1CCNCC1
InChIInChI=1S/C14H18FNO3/c1-18-14(17)12-8-11(15)2-3-13(12)19-9-10-4-6-16-7-5-10/h2-3,8,10,16H,4-7,9H2,1H3
InChIKeyLNSNDLRTACYCHF-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.99
Rot. Bonds4

About methyl 5-fluoro-2-(piperidin-4-ylmethoxy)benzoate

methyl 5-fluoro-2-(piperidin-4-ylmethoxy)benzoate (PubChem CID 71077869) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 5-fluoro-2-(piperidin-4-ylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-(piperidin-4-ylmethoxy)benzoate
PubChem CID71077869
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 5-fluoro-2-(piperidin-4-ylmethoxy)benzoate
SMILESCOC(=O)c1cc(F)ccc1OCC1CCNCC1
InChIInChI=1S/C14H18FNO3/c1-18-14(17)12-8-11(15)2-3-13(12)19-9-10-4-6-16-7-5-10/h2-3,8,10,16H,4-7,9H2,1H3
InChIKeyLNSNDLRTACYCHF-UHFFFAOYSA-N
XLogP1.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.99
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-ylmethoxy)benzoate?
The IUPAC name of methyl 5-fluoro-2-(piperidin-4-ylmethoxy)benzoate (CID 71077869) is methyl 5-fluoro-2-(piperidin-4-ylmethoxy)benzoate.
What is the SMILES notation for methyl 5-fluoro-2-(piperidin-4-ylmethoxy)benzoate?
The canonical SMILES for methyl 5-fluoro-2-(piperidin-4-ylmethoxy)benzoate is COC(=O)c1cc(F)ccc1OCC1CCNCC1.
What is the InChIKey of methyl 5-fluoro-2-(piperidin-4-ylmethoxy)benzoate?
The InChIKey is LNSNDLRTACYCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-18-14(17)12-8-11(15)2-3-13(12)19-9-10-4-6-16-7-5-10/h2-3,8,10,16H,4-7,9H2,1H3.
What are the key properties of methyl 5-fluoro-2-(piperidin-4-ylmethoxy)benzoate?
methyl 5-fluoro-2-(piperidin-4-ylmethoxy)benzoate has a molecular weight of 267.30 g/mol, XLogP of 1.99, 4 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-ylmethoxy)benzoate is sourced from PubChem (CID 71077869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).