1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid

C23H20ClFN2O3 — CID 57405385

IUPAC1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(Cl)cc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)CC1
InChIInChI=1S/C23H20ClFN2O3/c24-17-13-21(26-22(14-17)27-11-9-16(10-12-27)23(28)29)15-1-5-19(6-2-15)30-20-7-3-18(25)4-8-20/h1-8,13-14,16H,9-12H2,(H,28,29)
InChIKeyAGYNSCSHRXXELX-UHFFFAOYSA-N
MW426.88 g/mol
LogP5.63
Rot. Bonds5

About 1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid

1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 57405385) has the molecular formula C23H20ClFN2O3 and a molecular weight of 426.88 g/mol. Its IUPAC name is 1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID57405385
Molecular FormulaC23H20ClFN2O3
Molecular Weight426.88 g/mol
Exact Mass426.11
IUPAC Name1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(Cl)cc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)CC1
InChIInChI=1S/C23H20ClFN2O3/c24-17-13-21(26-22(14-17)27-11-9-16(10-12-27)23(28)29)15-1-5-19(6-2-15)30-20-7-3-18(25)4-8-20/h1-8,13-14,16H,9-12H2,(H,28,29)
InChIKeyAGYNSCSHRXXELX-UHFFFAOYSA-N
XLogP5.63
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.88
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-6-[4-(4-fluorophenoxy)phenyl]pyridine;methyl 1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;methyl piperidine-4-carboxylate
CID 159163194
(2S,4R)-1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 67981378
4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66806391
1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
CID 45341289
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 53078017
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
1-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56767853
1-[6-[5-chloro-2-[[4-(4-fluorophenyl)-2-methylphenyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 68870155
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 90519570
1-[2-(4-chlorophenyl)-6-ethylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 56767841
1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid
CID 119906674
3-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 131955014

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid (CID 57405385) is 1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cc(Cl)cc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)CC1.
What is the InChIKey of 1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is AGYNSCSHRXXELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O3/c24-17-13-21(26-22(14-17)27-11-9-16(10-12-27)23(28)29)15-1-5-19(6-2-15)30-20-7-3-18(25)4-8-20/h1-8,13-14,16H,9-12H2,(H,28,29).
What are the key properties of 1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid?
1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 426.88 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 57405385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).