1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone

C13H18N2O — CID 102539175

IUPAC1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1cnccc1C
InChIInChI=1S/C13H18N2O/c1-10-6-7-14-9-12(10)13-5-3-4-8-15(13)11(2)16/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyFAIMIOGIQVIDMI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.46
Rot. Bonds1

About 1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone

1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone (PubChem CID 102539175) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone
PubChem CID102539175
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1cnccc1C
InChIInChI=1S/C13H18N2O/c1-10-6-7-14-9-12(10)13-5-3-4-8-15(13)11(2)16/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyFAIMIOGIQVIDMI-UHFFFAOYSA-N
XLogP2.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(1-methylpiperidin-2-yl)pyridine
CID 102539165
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
4-methyl-3-(1-propylpiperidin-2-yl)pyridine
CID 102539167
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 95826518
1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102539767
1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95826525
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone
CID 95804809
tert-butyl 2-(3-cyano-4-pyridinyl)piperidine-1-carboxylate
CID 115052446
3-cycloheptyl-4-methylpyridine
CID 146408954
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone (CID 102539175) is 1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone is CC(=O)N1CCCCC1c1cnccc1C.
What is the InChIKey of 1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone?
The InChIKey is FAIMIOGIQVIDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-6-7-14-9-12(10)13-5-3-4-8-15(13)11(2)16/h6-7,9,13H,3-5,8H2,1-2H3.
What are the key properties of 1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone?
1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone has a molecular weight of 218.30 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 102539175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).