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

C16H22FNO2 — CID 53150653

IUPAC1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C16H22FNO2/c1-13(19)18-8-5-14(6-9-18)7-10-20-12-15-3-2-4-16(17)11-15/h2-4,11,14H,5-10,12H2,1H3
InChIKeyURDBFWRJHKTCHF-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.99
Rot. Bonds5

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

1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone (PubChem CID 53150653) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
PubChem CID53150653
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C16H22FNO2/c1-13(19)18-8-5-14(6-9-18)7-10-20-12-15-3-2-4-16(17)11-15/h2-4,11,14H,5-10,12H2,1H3
InChIKeyURDBFWRJHKTCHF-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone (CID 53150653) is 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CCOCc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone?
The InChIKey is URDBFWRJHKTCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-13(19)18-8-5-14(6-9-18)7-10-20-12-15-3-2-4-16(17)11-15/h2-4,11,14H,5-10,12H2,1H3.
What are the key properties of 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone?
1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone has a molecular weight of 279.35 g/mol, XLogP of 2.99, 5 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]ethanone is sourced from PubChem (CID 53150653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).