(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone

C13H16Cl2N2O — CID 114918451

IUPAC(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc(Cl)ncc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O/c1-13(2)3-5-17(6-4-13)12(18)9-7-11(15)16-8-10(9)14/h7-8H,3-6H2,1-2H3
InChIKeyWVNVKXRFHBSWTK-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.65
Rot. Bonds1

About (2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone

(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 114918451) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is (2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID114918451
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc(Cl)ncc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O/c1-13(2)3-5-17(6-4-13)12(18)9-7-11(15)16-8-10(9)14/h7-8H,3-6H2,1-2H3
InChIKeyWVNVKXRFHBSWTK-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 114917004
(2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone
CID 172648288
(2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668644
(2-chloro-5-nitro-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 113251152
(2,5-dichloro-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 114918455
4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 114918581
2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide
CID 114918894
(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648286
(2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114918341
(5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 107185070
(5-bromo-2-chlorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282955
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114918468

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone (CID 114918451) is (2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone is CC1(C)CCN(C(=O)c2cc(Cl)ncc2Cl)CC1.
What is the InChIKey of (2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is WVNVKXRFHBSWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-13(2)3-5-17(6-4-13)12(18)9-7-11(15)16-8-10(9)14/h7-8H,3-6H2,1-2H3.
What are the key properties of (2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone?
(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 287.19 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114918451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).