2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone

C18H24ClFN2O2 — CID 56911600

IUPAC2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)N1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C18H24ClFN2O2/c19-16-10-13(3-4-17(16)20)11-18(24)21-8-5-14(6-9-21)22-7-1-2-15(23)12-22/h3-4,10,14-15,23H,1-2,5-9,11-12H2
InChIKeyROEXNCCWINVGPI-UHFFFAOYSA-N
MW354.85 g/mol
LogP2.47
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone

2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone (PubChem CID 56911600) has the molecular formula C18H24ClFN2O2 and a molecular weight of 354.85 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
PubChem CID56911600
Molecular FormulaC18H24ClFN2O2
Molecular Weight354.85 g/mol
Exact Mass354.15
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)N1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C18H24ClFN2O2/c19-16-10-13(3-4-17(16)20)11-18(24)21-8-5-14(6-9-21)22-7-1-2-15(23)12-22/h3-4,10,14-15,23H,1-2,5-9,11-12H2
InChIKeyROEXNCCWINVGPI-UHFFFAOYSA-N
XLogP2.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 56905849
(4-chloro-3-fluorophenyl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
CID 95713393
2-(4-chlorophenyl)-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]ethanone
CID 99928537
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70735974
N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide
CID 75437232
1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
CID 95896324
2-(3-chloro-4-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]acetamide
CID 167911024
2-(3,4-dichlorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995158
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 2912760

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone (CID 56911600) is 2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone is O=C(Cc1ccc(F)c(Cl)c1)N1CCC(N2CCCC(O)C2)CC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is ROEXNCCWINVGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2O2/c19-16-10-13(3-4-17(16)20)11-18(24)21-8-5-14(6-9-21)22-7-1-2-15(23)12-22/h3-4,10,14-15,23H,1-2,5-9,11-12H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone?
2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 354.85 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56911600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).