(6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

C12H15FN2O2 — CID 115496754

IUPAC(6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)n1)N1CCC(CO)CC1
InChIInChI=1S/C12H15FN2O2/c13-11-3-1-2-10(14-11)12(17)15-6-4-9(8-16)5-7-15/h1-3,9,16H,4-8H2
InChIKeyLJHMSKKIPYOIAM-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.07
Rot. Bonds2

About (6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

(6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 115496754) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID115496754
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)n1)N1CCC(CO)CC1
InChIInChI=1S/C12H15FN2O2/c13-11-3-1-2-10(14-11)12(17)15-6-4-9(8-16)5-7-15/h1-3,9,16H,4-8H2
InChIKeyLJHMSKKIPYOIAM-UHFFFAOYSA-N
XLogP1.07
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115497426
(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115497554
[6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55052183
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115498100
(6-fluoro-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115497671
N-[1-(6-fluoropyridine-2-carbonyl)piperidin-4-yl]butanamide
CID 115497488
(6-fluoro-2-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 113323648
(1,1-dioxo-1,4-thiazepan-4-yl)-(6-fluoro-2-pyridinyl)methanone
CID 113342783
(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115496980
(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 119999102
(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 113323326
(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115496620

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 115496754) is (6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cccc(F)n1)N1CCC(CO)CC1.
What is the InChIKey of (6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is LJHMSKKIPYOIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-11-3-1-2-10(14-11)12(17)15-6-4-9(8-16)5-7-15/h1-3,9,16H,4-8H2.
What are the key properties of (6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
(6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 238.26 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 115496754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).