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

C13H17FN2O2 — CID 113323326

IUPAC(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)n1)N1CCCCC1CCO
InChIInChI=1S/C13H17FN2O2/c14-12-6-3-5-11(15-12)13(18)16-8-2-1-4-10(16)7-9-17/h3,5-6,10,17H,1-2,4,7-9H2
InChIKeyPTZTYTBGQQWGOF-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.60
Rot. Bonds3

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

(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 113323326) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID113323326
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)n1)N1CCCCC1CCO
InChIInChI=1S/C13H17FN2O2/c14-12-6-3-5-11(15-12)13(18)16-8-2-1-4-10(16)7-9-17/h3,5-6,10,17H,1-2,4,7-9H2
InChIKeyPTZTYTBGQQWGOF-UHFFFAOYSA-N
XLogP1.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.60
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

(6-fluoro-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115497671
[2-(2-hydroxyethyl)piperidin-1-yl]-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84574009
[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
CID 62239964
(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 115497894
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323386
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115497518
(6-fluoro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 109389072
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 43427369
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 115497092
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 110888051

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 113323326) is (6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1cccc(F)n1)N1CCCCC1CCO.
What is the InChIKey of (6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is PTZTYTBGQQWGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-12-6-3-5-11(15-12)13(18)16-8-2-1-4-10(16)7-9-17/h3,5-6,10,17H,1-2,4,7-9H2.
What are the key properties of (6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 252.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 113323326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).