2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone

C23H35FN2O2 — CID 123430480

IUPAC2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1ccc(OCCCCCC2CCNCC2)cc1F)N1CCCCC1
InChIInChI=1S/C23H35FN2O2/c24-22-18-21(28-16-6-1-3-7-19-10-12-25-13-11-19)9-8-20(22)17-23(27)26-14-4-2-5-15-26/h8-9,18-19,25H,1-7,10-17H2
InChIKeyQGHRVTZJUYMOEB-UHFFFAOYSA-N
MW390.54 g/mol
LogP4.32
Rot. Bonds9

About 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone

2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone (PubChem CID 123430480) has the molecular formula C23H35FN2O2 and a molecular weight of 390.54 g/mol. Its IUPAC name is 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone
PubChem CID123430480
Molecular FormulaC23H35FN2O2
Molecular Weight390.54 g/mol
Exact Mass390.27
IUPAC Name2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1ccc(OCCCCCC2CCNCC2)cc1F)N1CCCCC1
InChIInChI=1S/C23H35FN2O2/c24-22-18-21(28-16-6-1-3-7-19-10-12-25-13-11-19)9-8-20(22)17-23(27)26-14-4-2-5-15-26/h8-9,18-19,25H,1-7,10-17H2
InChIKeyQGHRVTZJUYMOEB-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone 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 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone (CID 123430480) is 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone is O=C(Cc1ccc(OCCCCCC2CCNCC2)cc1F)N1CCCCC1.
What is the InChIKey of 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone?
The InChIKey is QGHRVTZJUYMOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN2O2/c24-22-18-21(28-16-6-1-3-7-19-10-12-25-13-11-19)9-8-20(22)17-23(27)26-14-4-2-5-15-26/h8-9,18-19,25H,1-7,10-17H2.
What are the key properties of 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone?
2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone has a molecular weight of 390.54 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 123430480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).