1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one

C15H19ClFNO2 — CID 103052354

IUPAC1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
SMILESO=C(CCOC1CCNCC1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H19ClFNO2/c16-12-1-2-15(17)11(9-12)10-13(19)5-8-20-14-3-6-18-7-4-14/h1-2,9,14,18H,3-8,10H2
InChIKeyPOTIQAFOEISDBD-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.75
Rot. Bonds6

About 1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one

1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one (PubChem CID 103052354) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
PubChem CID103052354
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
SMILESO=C(CCOC1CCNCC1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H19ClFNO2/c16-12-1-2-15(17)11(9-12)10-13(19)5-8-20-14-3-6-18-7-4-14/h1-2,9,14,18H,3-8,10H2
InChIKeyPOTIQAFOEISDBD-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one
CID 114281145
1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 116572237
1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one
CID 116572161
N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide
CID 63905458
4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one
CID 116572330
3-piperidin-4-yloxy-N-(2,4,6-trichlorophenyl)propanamide
CID 63875787
N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide
CID 63876656
1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one
CID 116572333
N-(2,6-dichloro-4-fluorophenyl)-3-piperidin-4-yloxypropanamide
CID 83077626
1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one
CID 114863265
1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one
CID 106763987
1-phenyl-3-piperidin-4-yloxypropan-1-one
CID 116572261

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one (CID 103052354) is 1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one is O=C(CCOC1CCNCC1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one?
The InChIKey is POTIQAFOEISDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c16-12-1-2-15(17)11(9-12)10-13(19)5-8-20-14-3-6-18-7-4-14/h1-2,9,14,18H,3-8,10H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one?
1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one has a molecular weight of 299.77 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one is sourced from PubChem (CID 103052354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).