(2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C13H16Cl2N2O2 — CID 43244483

IUPAC(2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)nc(Cl)c1)N1CCCCC1CCO
InChIInChI=1S/C13H16Cl2N2O2/c14-11-7-9(8-12(15)16-11)13(19)17-5-2-1-3-10(17)4-6-18/h7-8,10,18H,1-6H2
InChIKeyUQQDLUSCWFGTKH-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.77
Rot. Bonds3

About (2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 43244483) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID43244483
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name(2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)nc(Cl)c1)N1CCCCC1CCO
InChIInChI=1S/C13H16Cl2N2O2/c14-11-7-9(8-12(15)16-11)13(19)17-5-2-1-3-10(17)4-6-18/h7-8,10,18H,1-6H2
InChIKeyUQQDLUSCWFGTKH-UHFFFAOYSA-N
XLogP2.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 43244483) is (2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1cc(Cl)nc(Cl)c1)N1CCCCC1CCO.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is UQQDLUSCWFGTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-11-7-9(8-12(15)16-11)13(19)17-5-2-1-3-10(17)4-6-18/h7-8,10,18H,1-6H2.
What are the key properties of (2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 303.19 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43244483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).