3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

C24H32FN3O2 — CID 59371355

IUPAC3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESFc1ccc(COCCC2CCN(c3cncc(OC[C@@H]4CCCN4)c3)CC2)cc1
InChIInChI=1S/C24H32FN3O2/c25-21-5-3-20(4-6-21)17-29-13-9-19-7-11-28(12-8-19)23-14-24(16-26-15-23)30-18-22-2-1-10-27-22/h3-6,14-16,19,22,27H,1-2,7-13,17-18H2/t22-/m0/s1
InChIKeyZIYFWHUTMUCGJX-QFIPXVFZSA-N
MW413.54 g/mol
LogP4.17
Rot. Bonds9

About 3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 59371355) has the molecular formula C24H32FN3O2 and a molecular weight of 413.54 g/mol. Its IUPAC name is 3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID59371355
Molecular FormulaC24H32FN3O2
Molecular Weight413.54 g/mol
Exact Mass413.25
IUPAC Name3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESFc1ccc(COCCC2CCN(c3cncc(OC[C@@H]4CCCN4)c3)CC2)cc1
InChIInChI=1S/C24H32FN3O2/c25-21-5-3-20(4-6-21)17-29-13-9-19-7-11-28(12-8-19)23-14-24(16-26-15-23)30-18-22-2-1-10-27-22/h3-6,14-16,19,22,27H,1-2,7-13,17-18H2/t22-/m0/s1
InChIKeyZIYFWHUTMUCGJX-QFIPXVFZSA-N
XLogP4.17
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]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-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (CID 59371355) is 3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is Fc1ccc(COCCC2CCN(c3cncc(OC[C@@H]4CCCN4)c3)CC2)cc1.
What is the InChIKey of 3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is ZIYFWHUTMUCGJX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32FN3O2/c25-21-5-3-20(4-6-21)17-29-13-9-19-7-11-28(12-8-19)23-14-24(16-26-15-23)30-18-22-2-1-10-27-22/h3-6,14-16,19,22,27H,1-2,7-13,17-18H2/t22-/m0/s1.
What are the key properties of 3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 413.54 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 59371355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).