4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid

C18H19FN2O3 — CID 175598861

IUPAC4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1-c1ncc(C2CCNCC2C(=O)O)cc1F
InChIInChI=1S/C18H19FN2O3/c1-24-16-5-3-2-4-13(16)17-15(19)8-11(9-21-17)12-6-7-20-10-14(12)18(22)23/h2-5,8-9,12,14,20H,6-7,10H2,1H3,(H,22,23)
InChIKeySWXSVTYWZWUIQQ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.67
Rot. Bonds4

About 4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid

4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid (PubChem CID 175598861) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid
PubChem CID175598861
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1-c1ncc(C2CCNCC2C(=O)O)cc1F
InChIInChI=1S/C18H19FN2O3/c1-24-16-5-3-2-4-13(16)17-15(19)8-11(9-21-17)12-6-7-20-10-14(12)18(22)23/h2-5,8-9,12,14,20H,6-7,10H2,1H3,(H,22,23)
InChIKeySWXSVTYWZWUIQQ-UHFFFAOYSA-N
XLogP2.67
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-4-[6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-3-pyridinyl]piperidine-3-carboxylic acid
CID 67479140
5-cyclopropyl-2-(2-methoxyphenyl)pyridin-3-amine
CID 83919445
N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119708664
[(3R,4R)-4-phenylpiperidin-3-yl] 3,4-dimethoxybenzoate
CID 59674872
2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 81009100
N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119817239
4-(1H-indazol-5-yl)piperidine-3-carboxylic acid
CID 82385038
4-(2-chlorophenyl)piperidine-3-carboxylic acid
CID 82388184
[(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate
CID 142245480
4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]piperidine-3-carboxylic acid
CID 69153693
2-methoxy-4-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230068
2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020800

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid?
The IUPAC name of 4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid (CID 175598861) is 4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid?
The canonical SMILES for 4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid is COc1ccccc1-c1ncc(C2CCNCC2C(=O)O)cc1F.
What is the InChIKey of 4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid?
The InChIKey is SWXSVTYWZWUIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-24-16-5-3-2-4-13(16)17-15(19)8-11(9-21-17)12-6-7-20-10-14(12)18(22)23/h2-5,8-9,12,14,20H,6-7,10H2,1H3,(H,22,23).
What are the key properties of 4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid?
4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-6-(2-methoxyphenyl)-3-pyridinyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 175598861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).