1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one

C18H26FNO2 — CID 53150651

IUPAC1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C18H26FNO2/c1-2-4-18(21)20-10-7-15(8-11-20)9-12-22-14-16-5-3-6-17(19)13-16/h3,5-6,13,15H,2,4,7-12,14H2,1H3
InChIKeyFZWJYJZLYYNXFX-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.77
Rot. Bonds7

About 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one

1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one (PubChem CID 53150651) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one
PubChem CID53150651
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C18H26FNO2/c1-2-4-18(21)20-10-7-15(8-11-20)9-12-22-14-16-5-3-6-17(19)13-16/h3,5-6,13,15H,2,4,7-12,14H2,1H3
InChIKeyFZWJYJZLYYNXFX-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one 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 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one (CID 53150651) is 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(CCOCc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one?
The InChIKey is FZWJYJZLYYNXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-2-4-18(21)20-10-7-15(8-11-20)9-12-22-14-16-5-3-6-17(19)13-16/h3,5-6,13,15H,2,4,7-12,14H2,1H3.
What are the key properties of 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one?
1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one has a molecular weight of 307.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 53150651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).