4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid

C12H13F2NO3 — CID 68622399

IUPAC4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2ccc(F)cc2F)CC1
InChIInChI=1S/C12H13F2NO3/c13-8-1-2-9(10(14)7-8)12(18)3-5-15(6-4-12)11(16)17/h1-2,7,18H,3-6H2,(H,16,17)
InChIKeyHOQZIEZBXLYXFE-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.93
Rot. Bonds1

About 4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid

4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 68622399) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid
PubChem CID68622399
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2ccc(F)cc2F)CC1
InChIInChI=1S/C12H13F2NO3/c13-8-1-2-9(10(14)7-8)12(18)3-5-15(6-4-12)11(16)17/h1-2,7,18H,3-6H2,(H,16,17)
InChIKeyHOQZIEZBXLYXFE-UHFFFAOYSA-N
XLogP1.93
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid (CID 68622399) is 4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid is O=C(O)N1CCC(O)(c2ccc(F)cc2F)CC1.
What is the InChIKey of 4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is HOQZIEZBXLYXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3/c13-8-1-2-9(10(14)7-8)12(18)3-5-15(6-4-12)11(16)17/h1-2,7,18H,3-6H2,(H,16,17).
What are the key properties of 4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid?
4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 257.24 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 68622399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).