4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid

C12H13ClFNO3 — CID 23149886

IUPAC4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H13ClFNO3/c13-9-7-8(1-2-10(9)14)12(18)3-5-15(6-4-12)11(16)17/h1-2,7,18H,3-6H2,(H,16,17)
InChIKeyCTAZKSWRWGUATO-UHFFFAOYSA-N
MW273.69 g/mol
LogP2.44
Rot. Bonds1

About 4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid

4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 23149886) has the molecular formula C12H13ClFNO3 and a molecular weight of 273.69 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid
PubChem CID23149886
Molecular FormulaC12H13ClFNO3
Molecular Weight273.69 g/mol
Exact Mass273.06
IUPAC Name4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H13ClFNO3/c13-9-7-8(1-2-10(9)14)12(18)3-5-15(6-4-12)11(16)17/h1-2,7,18H,3-6H2,(H,16,17)
InChIKeyCTAZKSWRWGUATO-UHFFFAOYSA-N
XLogP2.44
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid (CID 23149886) is 4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid is O=C(O)N1CCC(O)(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is CTAZKSWRWGUATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3/c13-9-7-8(1-2-10(9)14)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-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid?
4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 273.69 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 23149886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).