1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one

C20H23FN2O2 — CID 56752986

IUPAC1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
SMILESCc1ccc(C2(O)CCN(CCC(=O)c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C20H23FN2O2/c1-15-2-7-19(22-14-15)20(25)9-12-23(13-10-20)11-8-18(24)16-3-5-17(21)6-4-16/h2-7,14,25H,8-13H2,1H3
InChIKeyDJCHMANQGWPGDL-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.09
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one

1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one (PubChem CID 56752986) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
PubChem CID56752986
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
SMILESCc1ccc(C2(O)CCN(CCC(=O)c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C20H23FN2O2/c1-15-2-7-19(22-14-15)20(25)9-12-23(13-10-20)11-8-18(24)16-3-5-17(21)6-4-16/h2-7,14,25H,8-13H2,1H3
InChIKeyDJCHMANQGWPGDL-UHFFFAOYSA-N
XLogP3.09
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one (CID 56752986) is 1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one is Cc1ccc(C2(O)CCN(CCC(=O)c3ccc(F)cc3)CC2)nc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The InChIKey is DJCHMANQGWPGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-15-2-7-19(22-14-15)20(25)9-12-23(13-10-20)11-8-18(24)16-3-5-17(21)6-4-16/h2-7,14,25H,8-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one has a molecular weight of 342.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56752986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).