2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone

C19H20ClFN2O2 — CID 16668524

IUPAC2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone
SMILESCc1cccnc1C1(O)CCN(C(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C19H20ClFN2O2/c1-13-4-3-9-22-18(13)19(25)7-10-23(11-8-19)17(24)12-14-15(20)5-2-6-16(14)21/h2-6,9,25H,7-8,10-12H2,1H3
InChIKeyMRVZZHIFDDDDIK-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.24
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone (PubChem CID 16668524) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone
PubChem CID16668524
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone
SMILESCc1cccnc1C1(O)CCN(C(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C19H20ClFN2O2/c1-13-4-3-9-22-18(13)19(25)7-10-23(11-8-19)17(24)12-14-15(20)5-2-6-16(14)21/h2-6,9,25H,7-8,10-12H2,1H3
InChIKeyMRVZZHIFDDDDIK-UHFFFAOYSA-N
XLogP3.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone (CID 16668524) is 2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone is Cc1cccnc1C1(O)CCN(C(=O)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
The InChIKey is MRVZZHIFDDDDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-13-4-3-9-22-18(13)19(25)7-10-23(11-8-19)17(24)12-14-15(20)5-2-6-16(14)21/h2-6,9,25H,7-8,10-12H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone has a molecular weight of 362.83 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 16668524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).