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

C14H18FNO3 — CID 165429432

IUPAC2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO3/c15-12-3-5-13(6-4-12)19-10-11-2-1-7-16(8-11)9-14(17)18/h3-6,11H,1-2,7-10H2,(H,17,18)
InChIKeyZHGRBVGFWCIEOA-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.00
Rot. Bonds5

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

2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid (PubChem CID 165429432) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
PubChem CID165429432
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO3/c15-12-3-5-13(6-4-12)19-10-11-2-1-7-16(8-11)9-14(17)18/h3-6,11H,1-2,7-10H2,(H,17,18)
InChIKeyZHGRBVGFWCIEOA-UHFFFAOYSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetamide
CID 110258523
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine
CID 123811801
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715
N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
CID 86972191
1-[2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 97110125
[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 70738185
(3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide
CID 125441231
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride
CID 19763371

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid (CID 165429432) is 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCCC(COc2ccc(F)cc2)C1.
What is the InChIKey of 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid?
The InChIKey is ZHGRBVGFWCIEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-12-3-5-13(6-4-12)19-10-11-2-1-7-16(8-11)9-14(17)18/h3-6,11H,1-2,7-10H2,(H,17,18).
What are the key properties of 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid?
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid has a molecular weight of 267.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 165429432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).