4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid

C13H16FNO3 — CID 22128899

IUPAC4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid
SMILESCC1CN(C(=O)O)CC(O)C1c1ccc(F)cc1
InChIInChI=1S/C13H16FNO3/c1-8-6-15(13(17)18)7-11(16)12(8)9-2-4-10(14)5-3-9/h2-5,8,11-12,16H,6-7H2,1H3,(H,17,18)
InChIKeyVZMYKSHHHDZQQL-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.90
Rot. Bonds1

About 4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid

4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid (PubChem CID 22128899) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid
PubChem CID22128899
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid
SMILESCC1CN(C(=O)O)CC(O)C1c1ccc(F)cc1
InChIInChI=1S/C13H16FNO3/c1-8-6-15(13(17)18)7-11(16)12(8)9-2-4-10(14)5-3-9/h2-5,8,11-12,16H,6-7H2,1H3,(H,17,18)
InChIKeyVZMYKSHHHDZQQL-UHFFFAOYSA-N
XLogP1.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid (CID 22128899) is 4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid is CC1CN(C(=O)O)CC(O)C1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid?
The InChIKey is VZMYKSHHHDZQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-8-6-15(13(17)18)7-11(16)12(8)9-2-4-10(14)5-3-9/h2-5,8,11-12,16H,6-7H2,1H3,(H,17,18).
What are the key properties of 4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid?
4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid has a molecular weight of 253.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-hydroxy-5-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 22128899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).