1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone

C13H18N2O2 — CID 102958776

IUPAC1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C)C(O)C2)cn1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-15(8-13(9)17)11-3-4-12(10(2)16)14-7-11/h3-4,7,9,13,17H,5-6,8H2,1-2H3
InChIKeyLAAQLDYVKWMUKJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.49
Rot. Bonds2

About 1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone

1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone (PubChem CID 102958776) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone
PubChem CID102958776
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C)C(O)C2)cn1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-15(8-13(9)17)11-3-4-12(10(2)16)14-7-11/h3-4,7,9,13,17H,5-6,8H2,1-2H3
InChIKeyLAAQLDYVKWMUKJ-UHFFFAOYSA-N
XLogP1.49
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone
CID 83118736
N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736440
methyl 1-(6-acetyl-3-pyridinyl)-4-methylpyrrolidine-3-carboxylate
CID 83126121
1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone
CID 83119164
1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
CID 83120198
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
1-[6-(1-hydroxyethyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959859
1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone
CID 83118890
1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959840
1-[5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanone
CID 114410234
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 104638980
5-(4-aminopiperidin-1-yl)pyridine-2-carboxylic acid
CID 115760472

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone (CID 102958776) is 1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone is CC(=O)c1ccc(N2CCC(C)C(O)C2)cn1.
What is the InChIKey of 1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone?
The InChIKey is LAAQLDYVKWMUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-6-15(8-13(9)17)11-3-4-12(10(2)16)14-7-11/h3-4,7,9,13,17H,5-6,8H2,1-2H3.
What are the key properties of 1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone?
1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 102958776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).