(2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C13H16Cl2N2O2 — CID 106993205

IUPAC(2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1Cl)N1CCCCC1CCO
InChIInChI=1S/C13H16Cl2N2O2/c14-11-5-4-10(12(15)16-11)13(19)17-7-2-1-3-9(17)6-8-18/h4-5,9,18H,1-3,6-8H2
InChIKeyPKFDQFZFDVAVFG-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.77
Rot. Bonds3

About (2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 106993205) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is (2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID106993205
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name(2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1Cl)N1CCCCC1CCO
InChIInChI=1S/C13H16Cl2N2O2/c14-11-5-4-10(12(15)16-11)13(19)17-7-2-1-3-9(17)6-8-18/h4-5,9,18H,1-3,6-8H2
InChIKeyPKFDQFZFDVAVFG-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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Related Compounds

[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110887019
(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107722292
[2-(2-bromoethyl)piperidin-1-yl]-(2-chlorofuran-3-yl)methanone
CID 106689928
[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62166978
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 113323326
[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63394055
(2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 106685775
(2-bromo-4,5-difluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 86814312
(4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 60741387
[2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 84574317
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576187

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 106993205) is (2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)nc1Cl)N1CCCCC1CCO.
What is the InChIKey of (2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is PKFDQFZFDVAVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-11-5-4-10(12(15)16-11)13(19)17-7-2-1-3-9(17)6-8-18/h4-5,9,18H,1-3,6-8H2.
What are the key properties of (2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(2,6-dichloro-3-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-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106993205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).