(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C12H14Cl2N2O2 — CID 113348347

IUPAC(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1O
InChIInChI=1S/C12H14Cl2N2O2/c1-7-2-3-16(6-9(7)17)12(18)8-4-10(13)15-11(14)5-8/h4-5,7,9,17H,2-3,6H2,1H3
InChIKeyDBXGBZOWNRVRLD-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.23
Rot. Bonds1

About (2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 113348347) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID113348347
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1O
InChIInChI=1S/C12H14Cl2N2O2/c1-7-2-3-16(6-9(7)17)12(18)8-4-10(13)15-11(14)5-8/h4-5,7,9,17H,2-3,6H2,1H3
InChIKeyDBXGBZOWNRVRLD-UHFFFAOYSA-N
XLogP2.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3,5-dichlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901173
(3-tert-butylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
CID 113415062
(5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900302
(2-tert-butyl-6-chloro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678233
(2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107877627
[2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561849
(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900236
(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63165448
(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 113378343
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901004
(4-amino-3-chlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954869

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 113348347) is (2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1O.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is DBXGBZOWNRVRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-7-2-3-16(6-9(7)17)12(18)8-4-10(13)15-11(14)5-8/h4-5,7,9,17H,2-3,6H2,1H3.
What are the key properties of (2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 289.16 g/mol, XLogP of 2.23, 1 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)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 113348347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).