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

C15H18FNO4 — CID 61009964

IUPAC2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C15H18FNO4/c16-11-4-6-13(7-5-11)21-10-14(18)17-8-2-1-3-12(17)9-15(19)20/h4-7,12H,1-3,8-10H2,(H,19,20)
InChIKeyDVCZQDRAPQMHBB-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.06
Rot. Bonds5

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

2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid (PubChem CID 61009964) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid
PubChem CID61009964
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C15H18FNO4/c16-11-4-6-13(7-5-11)21-10-14(18)17-8-2-1-3-12(17)9-15(19)20/h4-7,12H,1-3,8-10H2,(H,19,20)
InChIKeyDVCZQDRAPQMHBB-UHFFFAOYSA-N
XLogP2.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate
CID 70735433
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119630849
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid
CID 61010514
methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate
CID 60520937
3-[(2S)-1-[2-(4-methylphenoxy)acetyl]piperidin-2-yl]propanoic acid
CID 124696443
2-(4-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103556
1-[2-(chloromethyl)azepan-1-yl]-2-phenoxyethanone
CID 116639088
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
1-[2-(hydroxymethyl)azepan-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 116636305
2-(4-bromophenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635875
2-[(2R)-1-[(E)-4-(4-fluorophenyl)but-3-enoyl]pyrrolidin-2-yl]acetic acid
CID 129468782
1-[2-(aminomethyl)piperidin-1-yl]-2-(4-ethoxyphenoxy)ethanone;hydrochloride
CID 119468043

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid (CID 61009964) is 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid?
The InChIKey is DVCZQDRAPQMHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-11-4-6-13(7-5-11)21-10-14(18)17-8-2-1-3-12(17)9-15(19)20/h4-7,12H,1-3,8-10H2,(H,19,20).
What are the key properties of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid?
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61009964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).