4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol

C30H29FN2O2 — CID 67704220

IUPAC4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol
SMILESCCOc1cccc(-c2nc(-c3ccc(F)cc3)ccc2-c2ccc(O)cc2)c1N1CCCCC1
InChIInChI=1S/C30H29FN2O2/c1-2-35-28-8-6-7-26(30(28)33-19-4-3-5-20-33)29-25(21-11-15-24(34)16-12-21)17-18-27(32-29)22-9-13-23(31)14-10-22/h6-18,34H,2-5,19-20H2,1H3
InChIKeyOQXJGAYOKVYOEJ-UHFFFAOYSA-N
MW468.57 g/mol
LogP7.32
Rot. Bonds6

About 4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol

4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol (PubChem CID 67704220) has the molecular formula C30H29FN2O2 and a molecular weight of 468.57 g/mol. Its IUPAC name is 4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol
PubChem CID67704220
Molecular FormulaC30H29FN2O2
Molecular Weight468.57 g/mol
Exact Mass468.22
IUPAC Name4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol
SMILESCCOc1cccc(-c2nc(-c3ccc(F)cc3)ccc2-c2ccc(O)cc2)c1N1CCCCC1
InChIInChI=1S/C30H29FN2O2/c1-2-35-28-8-6-7-26(30(28)33-19-4-3-5-20-33)29-25(21-11-15-24(34)16-12-21)17-18-27(32-29)22-9-13-23(31)14-10-22/h6-18,34H,2-5,19-20H2,1H3
InChIKeyOQXJGAYOKVYOEJ-UHFFFAOYSA-N
XLogP7.32
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.57
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol?
The IUPAC name of 4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol (CID 67704220) is 4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol?
The canonical SMILES for 4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol is CCOc1cccc(-c2nc(-c3ccc(F)cc3)ccc2-c2ccc(O)cc2)c1N1CCCCC1.
What is the InChIKey of 4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol?
The InChIKey is OQXJGAYOKVYOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN2O2/c1-2-35-28-8-6-7-26(30(28)33-19-4-3-5-20-33)29-25(21-11-15-24(34)16-12-21)17-18-27(32-29)22-9-13-23(31)14-10-22/h6-18,34H,2-5,19-20H2,1H3.
What are the key properties of 4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol?
4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol has a molecular weight of 468.57 g/mol, XLogP of 7.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethoxy-2-piperidin-1-ylphenyl)-6-(4-fluorophenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 67704220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).