4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid

C18H17ClFNO3 — CID 67084385

IUPAC4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2ccc(-c3ccc(F)c(Cl)c3)cc2)CC1
InChIInChI=1S/C18H17ClFNO3/c19-15-11-13(3-6-16(15)20)12-1-4-14(5-2-12)18(24)7-9-21(10-8-18)17(22)23/h1-6,11,24H,7-10H2,(H,22,23)
InChIKeyJIYMQANPRQOKNV-UHFFFAOYSA-N
MW349.79 g/mol
LogP4.11
Rot. Bonds2

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

4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 67084385) has the molecular formula C18H17ClFNO3 and a molecular weight of 349.79 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid
PubChem CID67084385
Molecular FormulaC18H17ClFNO3
Molecular Weight349.79 g/mol
Exact Mass349.09
IUPAC Name4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2ccc(-c3ccc(F)c(Cl)c3)cc2)CC1
InChIInChI=1S/C18H17ClFNO3/c19-15-11-13(3-6-16(15)20)12-1-4-14(5-2-12)18(24)7-9-21(10-8-18)17(22)23/h1-6,11,24H,7-10H2,(H,22,23)
InChIKeyJIYMQANPRQOKNV-UHFFFAOYSA-N
XLogP4.11
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid (CID 67084385) is 4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid is O=C(O)N1CCC(O)(c2ccc(-c3ccc(F)c(Cl)c3)cc2)CC1.
What is the InChIKey of 4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is JIYMQANPRQOKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO3/c19-15-11-13(3-6-16(15)20)12-1-4-14(5-2-12)18(24)7-9-21(10-8-18)17(22)23/h1-6,11,24H,7-10H2,(H,22,23).
What are the key properties of 4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 349.79 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-fluorophenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 67084385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).