[6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone

C18H19FN2O3 — CID 56882655

IUPAC[6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2cccc(F)c2)nc1)N1CC[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C18H19FN2O3/c19-15-3-1-2-12(8-15)16-5-4-13(9-20-16)18(24)21-7-6-14(11-22)17(23)10-21/h1-5,8-9,14,17,22-23H,6-7,10-11H2/t14-,17+/m1/s1
InChIKeyCKRRQCQUGACFOL-PBHICJAKSA-N
MW330.36 g/mol
LogP1.70
Rot. Bonds3

About [6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone

[6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 56882655) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is [6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID56882655
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name[6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2cccc(F)c2)nc1)N1CC[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C18H19FN2O3/c19-15-3-1-2-12(8-15)16-5-4-13(9-20-16)18(24)21-7-6-14(11-22)17(23)10-21/h1-5,8-9,14,17,22-23H,6-7,10-11H2/t14-,17+/m1/s1
InChIKeyCKRRQCQUGACFOL-PBHICJAKSA-N
XLogP1.70
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone (CID 56882655) is [6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccc(-c2cccc(F)c2)nc1)N1CC[C@H](CO)[C@@H](O)C1.
What is the InChIKey of [6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is CKRRQCQUGACFOL-PBHICJAKSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-15-3-1-2-12(8-15)16-5-4-13(9-20-16)18(24)21-7-6-14(11-22)17(23)10-21/h1-5,8-9,14,17,22-23H,6-7,10-11H2/t14-,17+/m1/s1.
What are the key properties of [6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
[6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 330.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluorophenyl)-3-pyridinyl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56882655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).