methyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate

C14H18FNO3 — CID 154814779

IUPACmethyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate
SMILESCOC(=O)COc1ccc(C2CCNCC2)c(F)c1
InChIInChI=1S/C14H18FNO3/c1-18-14(17)9-19-11-2-3-12(13(15)8-11)10-4-6-16-7-5-10/h2-3,8,10,16H,4-7,9H2,1H3
InChIKeyCIXCBXQHXXAHPJ-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.84
Rot. Bonds4

About methyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate

methyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate (PubChem CID 154814779) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate
PubChem CID154814779
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate
SMILESCOC(=O)COc1ccc(C2CCNCC2)c(F)c1
InChIInChI=1S/C14H18FNO3/c1-18-14(17)9-19-11-2-3-12(13(15)8-11)10-4-6-16-7-5-10/h2-3,8,10,16H,4-7,9H2,1H3
InChIKeyCIXCBXQHXXAHPJ-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate?
The IUPAC name of methyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate (CID 154814779) is methyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate.
What is the SMILES notation for methyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate?
The canonical SMILES for methyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate is COC(=O)COc1ccc(C2CCNCC2)c(F)c1.
What is the InChIKey of methyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate?
The InChIKey is CIXCBXQHXXAHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-18-14(17)9-19-11-2-3-12(13(15)8-11)10-4-6-16-7-5-10/h2-3,8,10,16H,4-7,9H2,1H3.
What are the key properties of methyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate?
methyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate has a molecular weight of 267.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-4-piperidin-4-ylphenoxy)acetate is sourced from PubChem (CID 154814779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).