2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone

C19H21FN2O2 — CID 95807061

IUPAC2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone
SMILESCc1cccnc1C1(O)CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C19H21FN2O2/c1-14-5-4-10-21-18(14)19(24)8-11-22(12-9-19)17(23)13-15-6-2-3-7-16(15)20/h2-7,10,24H,8-9,11-13H2,1H3
InChIKeyKHRHUYPMOGJYNM-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.58
Rot. Bonds3

About 2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone (PubChem CID 95807061) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone
PubChem CID95807061
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone
SMILESCc1cccnc1C1(O)CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C19H21FN2O2/c1-14-5-4-10-21-18(14)19(24)8-11-22(12-9-19)17(23)13-15-6-2-3-7-16(15)20/h2-7,10,24H,8-9,11-13H2,1H3
InChIKeyKHRHUYPMOGJYNM-UHFFFAOYSA-N
XLogP2.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone (CID 95807061) is 2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone is Cc1cccnc1C1(O)CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
The InChIKey is KHRHUYPMOGJYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14-5-4-10-21-18(14)19(24)8-11-22(12-9-19)17(23)13-15-6-2-3-7-16(15)20/h2-7,10,24H,8-9,11-13H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone has a molecular weight of 328.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95807061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).