1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one

C21H24FNO2 — CID 44765669

IUPAC1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FNO2/c22-19-10-8-17(9-11-19)18-12-14-23(15-13-18)21(24)7-4-16-25-20-5-2-1-3-6-20/h1-3,5-6,8-11,18H,4,7,12-16H2
InChIKeyKHCXARFZZQDGBL-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.39
Rot. Bonds6

About 1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one

1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one (PubChem CID 44765669) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one
PubChem CID44765669
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FNO2/c22-19-10-8-17(9-11-19)18-12-14-23(15-13-18)21(24)7-4-16-25-20-5-2-1-3-6-20/h1-3,5-6,8-11,18H,4,7,12-16H2
InChIKeyKHCXARFZZQDGBL-UHFFFAOYSA-N
XLogP4.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.39
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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Related Compounds

1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-3-phenoxypropan-1-one
CID 50983338
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
4-(4-fluorophenoxy)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 79031097
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-(4-fluorophenoxy)butan-1-one;hydrochloride
CID 119636236
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(4-fluorophenoxy)butan-1-one;hydrochloride
CID 119410463
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one;hydrochloride
CID 119517972
1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110741288
N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551285
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one
CID 57153662
N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide
CID 87039839

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one (CID 44765669) is 1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one is O=C(CCCOc1ccccc1)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one?
The InChIKey is KHCXARFZZQDGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c22-19-10-8-17(9-11-19)18-12-14-23(15-13-18)21(24)7-4-16-25-20-5-2-1-3-6-20/h1-3,5-6,8-11,18H,4,7,12-16H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one?
1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one has a molecular weight of 341.43 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one is sourced from PubChem (CID 44765669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).