2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid

C15H20FNO3 — CID 104792774

IUPAC2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid
SMILESCOc1cccc(CN2CCC(CC(=O)O)CC2)c1F
InChIInChI=1S/C15H20FNO3/c1-20-13-4-2-3-12(15(13)16)10-17-7-5-11(6-8-17)9-14(18)19/h2-4,11H,5-10H2,1H3,(H,18,19)
InChIKeyLIVFAIDOXXJSIQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.52
Rot. Bonds5

About 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid

2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid (PubChem CID 104792774) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid
PubChem CID104792774
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid
SMILESCOc1cccc(CN2CCC(CC(=O)O)CC2)c1F
InChIInChI=1S/C15H20FNO3/c1-20-13-4-2-3-12(15(13)16)10-17-7-5-11(6-8-17)9-14(18)19/h2-4,11H,5-10H2,1H3,(H,18,19)
InChIKeyLIVFAIDOXXJSIQ-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606347
4-chloro-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 104794846
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 104792411
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 104792852
3-(bromomethyl)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 104794921
1-(1-ethylpiperidin-4-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104791714
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684119
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
1-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104792772
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carbaldehyde
CID 104794777

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid (CID 104792774) is 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid is COc1cccc(CN2CCC(CC(=O)O)CC2)c1F.
What is the InChIKey of 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is LIVFAIDOXXJSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-20-13-4-2-3-12(15(13)16)10-17-7-5-11(6-8-17)9-14(18)19/h2-4,11H,5-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid?
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 281.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 104792774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).