[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone

C20H23FN2O2 — CID 53037953

IUPAC[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(CCOCc2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O2/c21-19-4-2-1-3-18(19)15-25-14-9-16-7-12-23(13-8-16)20(24)17-5-10-22-11-6-17/h1-6,10-11,16H,7-9,12-15H2
InChIKeyYDGMPIIHJKNGOB-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.68
Rot. Bonds6

About [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 53037953) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID53037953
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(CCOCc2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O2/c21-19-4-2-1-3-18(19)15-25-14-9-16-7-12-23(13-8-16)20(24)17-5-10-22-11-6-17/h1-6,10-11,16H,7-9,12-15H2
InChIKeyYDGMPIIHJKNGOB-UHFFFAOYSA-N
XLogP3.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone 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 [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 53037953) is [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(CCOCc2ccccc2F)CC1.
What is the InChIKey of [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is YDGMPIIHJKNGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-19-4-2-1-3-18(19)15-25-14-9-16-7-12-23(13-8-16)20(24)17-5-10-22-11-6-17/h1-6,10-11,16H,7-9,12-15H2.
What are the key properties of [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 342.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 53037953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).