3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid

C19H20FNO3 — CID 22126732

IUPAC3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CC(O)C(c2ccc(F)cc2)C(Cc2ccccc2)C1
InChIInChI=1S/C19H20FNO3/c20-16-8-6-14(7-9-16)18-15(10-13-4-2-1-3-5-13)11-21(19(23)24)12-17(18)22/h1-9,15,17-18,22H,10-12H2,(H,23,24)
InChIKeyCQPGXUMUHJVJFK-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.12
Rot. Bonds3

About 3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid

3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid (PubChem CID 22126732) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid
PubChem CID22126732
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CC(O)C(c2ccc(F)cc2)C(Cc2ccccc2)C1
InChIInChI=1S/C19H20FNO3/c20-16-8-6-14(7-9-16)18-15(10-13-4-2-1-3-5-13)11-21(19(23)24)12-17(18)22/h1-9,15,17-18,22H,10-12H2,(H,23,24)
InChIKeyCQPGXUMUHJVJFK-UHFFFAOYSA-N
XLogP3.12
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid (CID 22126732) is 3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid is O=C(O)N1CC(O)C(c2ccc(F)cc2)C(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid?
The InChIKey is CQPGXUMUHJVJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-16-8-6-14(7-9-16)18-15(10-13-4-2-1-3-5-13)11-21(19(23)24)12-17(18)22/h1-9,15,17-18,22H,10-12H2,(H,23,24).
What are the key properties of 3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid?
3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid has a molecular weight of 329.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(4-fluorophenyl)-5-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 22126732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).