(2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone

C13H16Cl2N2O — CID 103714430

IUPAC(2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CCC(C)N(C(=O)c2ccc(Cl)nc2Cl)C1
InChIInChI=1S/C13H16Cl2N2O/c1-8-3-4-9(2)17(7-8)13(18)10-5-6-11(14)16-12(10)15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyCVFHKEUNSIUCRY-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.65
Rot. Bonds1

About (2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone

(2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone (PubChem CID 103714430) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is (2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone
PubChem CID103714430
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name(2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CCC(C)N(C(=O)c2ccc(Cl)nc2Cl)C1
InChIInChI=1S/C13H16Cl2N2O/c1-8-3-4-9(2)17(7-8)13(18)10-5-6-11(14)16-12(10)15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyCVFHKEUNSIUCRY-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-dimethylpiperidin-1-yl)-(2-sulfanylphenyl)methanone
CID 107031487
(2,6-dichloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 113228669
(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106994520
(4-methylcyclohexyl) 2,6-dichloropyridine-3-carboxylate
CID 106994582
(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114036820
[(2R,5R)-2,5-dimethylpiperidin-1-yl]-(6-methoxy-2-pyridin-4-yl-3-pyridinyl)methanone
CID 144616336
N-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide
CID 144616248
(2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
CID 103524349
(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 24885199
(5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone
CID 103713351
(2-bromo-5-sulfanylphenyl)-(2,5-dimethylpiperidin-1-yl)methanone
CID 107031486
(2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 167526074

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone (CID 103714430) is (2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone is CC1CCC(C)N(C(=O)c2ccc(Cl)nc2Cl)C1.
What is the InChIKey of (2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is CVFHKEUNSIUCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-8-3-4-9(2)17(7-8)13(18)10-5-6-11(14)16-12(10)15/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of (2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone?
(2,6-dichloro-3-pyridinyl)-(2,5-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 (2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 103714430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).