1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone

C14H20N2O — CID 115886198

IUPAC1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C)C(C)C2)nc1
InChIInChI=1S/C14H20N2O/c1-10-6-7-16(9-11(10)2)14-5-4-13(8-15-14)12(3)17/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKeyONVZHKQEDMSHEY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.77
Rot. Bonds2

About 1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone

1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone (PubChem CID 115886198) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
PubChem CID115886198
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C)C(C)C2)nc1
InChIInChI=1S/C14H20N2O/c1-10-6-7-16(9-11(10)2)14-5-4-13(8-15-14)12(3)17/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKeyONVZHKQEDMSHEY-UHFFFAOYSA-N
XLogP2.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649
1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone
CID 103894520
5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
CID 115871255
1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone
CID 115969554
1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 124615419
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone
CID 95716273
2-[4-[2-[1-(5-acetyl-2-pyridinyl)pyrrolidin-3-yl]ethyl]piperazin-1-yl]acetyl fluoride;ethane
CID 170739246
6-(3-hydroxy-4-methylpiperidin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133446605
1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone
CID 71019606

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone (CID 115886198) is 1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone is CC(=O)c1ccc(N2CCC(C)C(C)C2)nc1.
What is the InChIKey of 1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is ONVZHKQEDMSHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-6-7-16(9-11(10)2)14-5-4-13(8-15-14)12(3)17/h4-5,8,10-11H,6-7,9H2,1-3H3.
What are the key properties of 1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone?
1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone has a molecular weight of 232.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 115886198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).