3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine

C30H29FN2O2 — CID 156798705

IUPAC3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine
SMILESFc1cc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)ccc1N1CCCCC1
InChIInChI=1S/C30H29FN2O2/c31-27-20-25(14-16-28(27)33-18-8-3-9-19-33)26-15-17-29(34-21-23-10-4-1-5-11-23)32-30(26)35-22-24-12-6-2-7-13-24/h1-2,4-7,10-17,20H,3,8-9,18-19,21-22H2
InChIKeyRAMPYIGWZCLUIL-UHFFFAOYSA-N
MW468.57 g/mol
LogP7.04
Rot. Bonds8

About 3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine

3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine (PubChem CID 156798705) has the molecular formula C30H29FN2O2 and a molecular weight of 468.57 g/mol. Its IUPAC name is 3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine.

Molecular Properties

Compound Name3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine
PubChem CID156798705
Molecular FormulaC30H29FN2O2
Molecular Weight468.57 g/mol
Exact Mass468.22
IUPAC Name3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine
SMILESFc1cc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)ccc1N1CCCCC1
InChIInChI=1S/C30H29FN2O2/c31-27-20-25(14-16-28(27)33-18-8-3-9-19-33)26-15-17-29(34-21-23-10-4-1-5-11-23)32-30(26)35-22-24-12-6-2-7-13-24/h1-2,4-7,10-17,20H,3,8-9,18-19,21-22H2
InChIKeyRAMPYIGWZCLUIL-UHFFFAOYSA-N
XLogP7.04
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.57
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine?
The IUPAC name of 3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine (CID 156798705) is 3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine.
What is the SMILES notation for 3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine?
The canonical SMILES for 3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine is Fc1cc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)ccc1N1CCCCC1.
What is the InChIKey of 3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine?
The InChIKey is RAMPYIGWZCLUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN2O2/c31-27-20-25(14-16-28(27)33-18-8-3-9-19-33)26-15-17-29(34-21-23-10-4-1-5-11-23)32-30(26)35-22-24-12-6-2-7-13-24/h1-2,4-7,10-17,20H,3,8-9,18-19,21-22H2.
What are the key properties of 3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine?
3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine has a molecular weight of 468.57 g/mol, XLogP of 7.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-piperidin-1-ylphenyl)-2,6-bis(phenylmethoxy)pyridine is sourced from PubChem (CID 156798705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).