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

C24H32FN3O2 — CID 59371697

IUPAC3-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESFc1ccccc1COCCC1CCN(c2cncc(OC[C@@H]3CCCN3)c2)CC1
InChIInChI=1S/C24H32FN3O2/c25-24-6-2-1-4-20(24)17-29-13-9-19-7-11-28(12-8-19)22-14-23(16-26-15-22)30-18-21-5-3-10-27-21/h1-2,4,6,14-16,19,21,27H,3,5,7-13,17-18H2/t21-/m0/s1
InChIKeyJDIYCHMMHYLPGQ-NRFANRHFSA-N
MW413.54 g/mol
LogP4.17
Rot. Bonds9

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

3-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 59371697) has the molecular formula C24H32FN3O2 and a molecular weight of 413.54 g/mol. Its IUPAC name is 3-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID59371697
Molecular FormulaC24H32FN3O2
Molecular Weight413.54 g/mol
Exact Mass413.25
IUPAC Name3-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESFc1ccccc1COCCC1CCN(c2cncc(OC[C@@H]3CCCN3)c2)CC1
InChIInChI=1S/C24H32FN3O2/c25-24-6-2-1-4-20(24)17-29-13-9-19-7-11-28(12-8-19)22-14-23(16-26-15-22)30-18-21-5-3-10-27-21/h1-2,4,6,14-16,19,21,27H,3,5,7-13,17-18H2/t21-/m0/s1
InChIKeyJDIYCHMMHYLPGQ-NRFANRHFSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (CID 59371697) is 3-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is Fc1ccccc1COCCC1CCN(c2cncc(OC[C@@H]3CCCN3)c2)CC1.
What is the InChIKey of 3-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is JDIYCHMMHYLPGQ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32FN3O2/c25-24-6-2-1-4-20(24)17-29-13-9-19-7-11-28(12-8-19)22-14-23(16-26-15-22)30-18-21-5-3-10-27-21/h1-2,4,6,14-16,19,21,27H,3,5,7-13,17-18H2/t21-/m0/s1.
What are the key properties of 3-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
3-[4-[2-[(2-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-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 59371697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).