1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone

C16H22FNO2 — CID 56743313

IUPAC1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(CCc2cccc(F)c2)C1
InChIInChI=1S/C16H22FNO2/c1-20-12-16(19)18-9-3-5-14(11-18)8-7-13-4-2-6-15(17)10-13/h2,4,6,10,14H,3,5,7-9,11-12H2,1H3
InChIKeyVAQIMMVXPGFKMC-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.64
Rot. Bonds5

About 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone

1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 56743313) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
PubChem CID56743313
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(CCc2cccc(F)c2)C1
InChIInChI=1S/C16H22FNO2/c1-20-12-16(19)18-9-3-5-14(11-18)8-7-13-4-2-6-15(17)10-13/h2,4,6,10,14H,3,5,7-9,11-12H2,1H3
InChIKeyVAQIMMVXPGFKMC-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 95200233
N-[2-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 25485498
4,4,4-trifluoro-1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]butan-1-one
CID 95129018
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 45196713
1-[4-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 26401825
1-[2-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 26327850
(1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 42150617
1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
CID 25370122
1-[3-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 26328870
[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 42459967
1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 25279991
(2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 42245768

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone (CID 56743313) is 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCCC(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is VAQIMMVXPGFKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-20-12-16(19)18-9-3-5-14(11-18)8-7-13-4-2-6-15(17)10-13/h2,4,6,10,14H,3,5,7-9,11-12H2,1H3.
What are the key properties of 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone?
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 279.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 56743313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).