3-fluoro-4-piperidin-3-yloxybenzoic acid

C12H14FNO3 — CID 117096713

IUPAC3-fluoro-4-piperidin-3-yloxybenzoic acid
SMILESO=C(O)c1ccc(OC2CCCNC2)c(F)c1
InChIInChI=1S/C12H14FNO3/c13-10-6-8(12(15)16)3-4-11(10)17-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16)
InChIKeyMCICEVNAUWUOAX-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.65
Rot. Bonds3

About 3-fluoro-4-piperidin-3-yloxybenzoic acid

3-fluoro-4-piperidin-3-yloxybenzoic acid (PubChem CID 117096713) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-fluoro-4-piperidin-3-yloxybenzoic acid.

Molecular Properties

Compound Name3-fluoro-4-piperidin-3-yloxybenzoic acid
PubChem CID117096713
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name3-fluoro-4-piperidin-3-yloxybenzoic acid
SMILESO=C(O)c1ccc(OC2CCCNC2)c(F)c1
InChIInChI=1S/C12H14FNO3/c13-10-6-8(12(15)16)3-4-11(10)17-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16)
InChIKeyMCICEVNAUWUOAX-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Emiglitate
CID 72004
Ethyl 4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzoate
CID 12238216
4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2913384
Methyl 4-[3-(tert-butylamino)-2-hydroxypropoxy]benzoate
CID 559935
4-[2-(Acetylamino)ethoxy]benzoic acid
CID 660645
4-(2-Piperidinoethoxy)benzoic acid hydrochloride
CID 5743835
4-[2-(Diethylamino)ethoxy]benzoic acid hydrochloride
CID 42937492
4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzoic acid
CID 12540204
4-(2-Hydroxy-3-isopropylamino-propoxy)-benzoic acid methyl ester
CID 12238214
4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester
CID 2911831
2-Piperidin-1-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836410
Methyl 4-[4-(2,6-dimethyl-4-morpholinyl)butoxy]benzoate oxalate
CID 2935932

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-piperidin-3-yloxybenzoic acid?
The IUPAC name of 3-fluoro-4-piperidin-3-yloxybenzoic acid (CID 117096713) is 3-fluoro-4-piperidin-3-yloxybenzoic acid.
What is the SMILES notation for 3-fluoro-4-piperidin-3-yloxybenzoic acid?
The canonical SMILES for 3-fluoro-4-piperidin-3-yloxybenzoic acid is O=C(O)c1ccc(OC2CCCNC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-piperidin-3-yloxybenzoic acid?
The InChIKey is MCICEVNAUWUOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-10-6-8(12(15)16)3-4-11(10)17-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16).
What are the key properties of 3-fluoro-4-piperidin-3-yloxybenzoic acid?
3-fluoro-4-piperidin-3-yloxybenzoic acid has a molecular weight of 239.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-piperidin-3-yloxybenzoic acid is sourced from PubChem (CID 117096713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).