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

C15H20FNO3 — CID 138037841

IUPAC2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C15H20FNO3/c1-2-14(15(18)19)17-8-6-12(7-9-17)20-13-5-3-4-11(16)10-13/h3-5,10,12,14H,2,6-9H2,1H3,(H,18,19)
InChIKeyVLAPJUGUDOZHOJ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.53
Rot. Bonds5

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

2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid (PubChem CID 138037841) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
PubChem CID138037841
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C15H20FNO3/c1-2-14(15(18)19)17-8-6-12(7-9-17)20-13-5-3-4-11(16)10-13/h3-5,10,12,14H,2,6-9H2,1H3,(H,18,19)
InChIKeyVLAPJUGUDOZHOJ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
(2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid
CID 129401472
(2S)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-hydroxy-4-methylsulfanylbutan-1-one
CID 95860958
2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 154895868
1-(4-ethylcyclohexyl)oxy-3-fluorobenzene
CID 64766217
(2S)-2-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butanoic acid
CID 129401525
1-fluoro-3-(4-methylcyclohexyl)oxybenzene
CID 64764366
3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 83842692
(2R)-2-[4-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401574
(2R)-2-[4-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401572
3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one
CID 46968504

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid?
The IUPAC name of 2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid (CID 138037841) is 2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid?
The canonical SMILES for 2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid is CCC(C(=O)O)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid?
The InChIKey is VLAPJUGUDOZHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-2-14(15(18)19)17-8-6-12(7-9-17)20-13-5-3-4-11(16)10-13/h3-5,10,12,14H,2,6-9H2,1H3,(H,18,19).
What are the key properties of 2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid?
2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 138037841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).