2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone

C18H18ClFN2O2 — CID 16668612

IUPAC2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C18H18ClFN2O2/c19-15-12-14(20)5-4-13(15)11-17(23)22-9-6-18(24,7-10-22)16-3-1-2-8-21-16/h1-5,8,12,24H,6-7,9-11H2
InChIKeyNFIWBKQERXBLQE-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.93
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone

2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone (PubChem CID 16668612) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
PubChem CID16668612
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C18H18ClFN2O2/c19-15-12-14(20)5-4-13(15)11-17(23)22-9-6-18(24,7-10-22)16-3-1-2-8-21-16/h1-5,8,12,24H,6-7,9-11H2
InChIKeyNFIWBKQERXBLQE-UHFFFAOYSA-N
XLogP2.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone (CID 16668612) is 2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone is O=C(Cc1ccc(F)cc1Cl)N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The InChIKey is NFIWBKQERXBLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-15-12-14(20)5-4-13(15)11-17(23)22-9-6-18(24,7-10-22)16-3-1-2-8-21-16/h1-5,8,12,24H,6-7,9-11H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone has a molecular weight of 348.81 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 16668612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).