3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone

C17H30N2O — CID 143832551

IUPAC3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone
SMILESCC.CC(=O)N1CCC(C)CC1.Cc1ccncc1C
InChIInChI=1S/C8H15NO.C7H9N.C2H6/c1-7-3-5-9(6-4-7)8(2)10;1-6-3-4-8-5-7(6)2;1-2/h7H,3-6H2,1-2H3;3-5H,1-2H3;1-2H3
InChIKeyLXFFROPDWZGRJJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.99
Rot. Bonds

About 3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone

3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 143832551) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone
PubChem CID143832551
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone
SMILESCC.CC(=O)N1CCC(C)CC1.Cc1ccncc1C
InChIInChI=1S/C8H15NO.C7H9N.C2H6/c1-7-3-5-9(6-4-7)8(2)10;1-6-3-4-8-5-7(6)2;1-2/h7H,3-6H2,1-2H3;3-5H,1-2H3;1-2H3
InChIKeyLXFFROPDWZGRJJ-UHFFFAOYSA-N
XLogP3.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone
CID 122689327
1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 83888249
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 102539175
[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 128721004
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 113240920
1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone
CID 95824947
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109401616
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 120819643

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone (CID 143832551) is 3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone is CC.CC(=O)N1CCC(C)CC1.Cc1ccncc1C.
What is the InChIKey of 3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is LXFFROPDWZGRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C7H9N.C2H6/c1-7-3-5-9(6-4-7)8(2)10;1-6-3-4-8-5-7(6)2;1-2/h7H,3-6H2,1-2H3;3-5H,1-2H3;1-2H3.
What are the key properties of 3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone?
3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 278.44 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpyridine;ethane;1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 143832551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).