methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate

C15H20FNO3 — CID 103749371

IUPACmethyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCCC(OC)C2)cc1F
InChIInChI=1S/C15H20FNO3/c1-19-12-4-3-7-17(10-12)9-11-5-6-13(14(16)8-11)15(18)20-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChIKeyAXDYJZJGXIYURC-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.22
Rot. Bonds4

About methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate

methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate (PubChem CID 103749371) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate
PubChem CID103749371
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCCC(OC)C2)cc1F
InChIInChI=1S/C15H20FNO3/c1-19-12-4-3-7-17(10-12)9-11-5-6-13(14(16)8-11)15(18)20-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChIKeyAXDYJZJGXIYURC-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[(3-methoxypiperidin-1-yl)methyl]benzoic acid
CID 107880927
methyl 2-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]benzoate
CID 103749166
methyl 4-[(3-carbamoylpyrrolidin-1-yl)methyl]-2-fluorobenzoate
CID 103749383
methyl 4-[(4-ethoxypiperidin-1-yl)methyl]-2-fluorobenzoate
CID 103749261
methyl 2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoate
CID 106699045
methyl 2-fluoro-4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoate
CID 103749428
methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate
CID 103749535
methyl 4-[(2-cyanomorpholin-4-yl)methyl]-2-fluorobenzoate
CID 103749404
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
methyl 4-[(2,5-dimethylpiperidin-1-yl)methyl]-2-fluorobenzoate
CID 103749510
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid
CID 67217694
4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 102969250

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate?
The IUPAC name of methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate (CID 103749371) is methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate?
The canonical SMILES for methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate is COC(=O)c1ccc(CN2CCCC(OC)C2)cc1F.
What is the InChIKey of methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate?
The InChIKey is AXDYJZJGXIYURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-19-12-4-3-7-17(10-12)9-11-5-6-13(14(16)8-11)15(18)20-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3.
What are the key properties of methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate?
methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate has a molecular weight of 281.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate is sourced from PubChem (CID 103749371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).