6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid

C14H18FNO3 — CID 82667266

IUPAC6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C2CC(O)C(C(=O)O)CN2C)ccc1F
InChIInChI=1S/C14H18FNO3/c1-8-5-9(3-4-11(8)15)12-6-13(17)10(14(18)19)7-16(12)2/h3-5,10,12-13,17H,6-7H2,1-2H3,(H,18,19)
InChIKeyPOLQRYYWEUKSNT-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.57
Rot. Bonds2

About 6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid

6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid (PubChem CID 82667266) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid
PubChem CID82667266
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C2CC(O)C(C(=O)O)CN2C)ccc1F
InChIInChI=1S/C14H18FNO3/c1-8-5-9(3-4-11(8)15)12-6-13(17)10(14(18)19)7-16(12)2/h3-5,10,12-13,17H,6-7H2,1-2H3,(H,18,19)
InChIKeyPOLQRYYWEUKSNT-UHFFFAOYSA-N
XLogP1.57
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 563051
(3S,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 57707484
1-(Cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid
CID 46067458
(1R,2R,3S,5S)-4-benzyl-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 18654350
Benzylecgonin
CID 129628113
1-(Cyclopropanecarbonyl)-6-(4-fluorophenyl)piperidine-3-carboxylic acid
CID 46041408
1-[(2,4-Difluorophenyl)methyl]-6-phenylpiperidine-3-carboxylic acid
CID 46041416
(4-Fluoro-3-methylphenyl)(4-hydroxypiperidin-1-YL)acetic acid
CID 46992717
3-[4-Fluoro-3-[[methyl(propan-2-yl)amino]methyl]phenyl]-2-methylpropanoic acid
CID 20738061
Ethyl 1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-hydroxy-2-methylidenepiperidine-3-carboxylate
CID 23000855
2-(4-Fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 23345219
2-[(2R,4S)-1-[(3,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
CID 57987571

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid (CID 82667266) is 6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid is Cc1cc(C2CC(O)C(C(=O)O)CN2C)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid?
The InChIKey is POLQRYYWEUKSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-8-5-9(3-4-11(8)15)12-6-13(17)10(14(18)19)7-16(12)2/h3-5,10,12-13,17H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid?
6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 82667266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).