1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone

C14H20N2O2 — CID 112747183

IUPAC1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1N1CCC(O)C(C)(C)C1
InChIInChI=1S/C14H20N2O2/c1-10(17)11-5-4-7-15-13(11)16-8-6-12(18)14(2,3)9-16/h4-5,7,12,18H,6,8-9H2,1-3H3
InChIKeyRVMSOLAMXUOZEA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.88
Rot. Bonds2

About 1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone

1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone (PubChem CID 112747183) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
PubChem CID112747183
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1N1CCC(O)C(C)(C)C1
InChIInChI=1S/C14H20N2O2/c1-10(17)11-5-4-7-15-13(11)16-8-6-12(18)14(2,3)9-16/h4-5,7,12,18H,6,8-9H2,1-3H3
InChIKeyRVMSOLAMXUOZEA-UHFFFAOYSA-N
XLogP1.88
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 103721831
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone
CID 103721776
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62085076
[2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 72918907
1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol
CID 166260412
2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 121203872
2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129359483
2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 95971662
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone (CID 112747183) is 1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone is CC(=O)c1cccnc1N1CCC(O)C(C)(C)C1.
What is the InChIKey of 1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is RVMSOLAMXUOZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(17)11-5-4-7-15-13(11)16-8-6-12(18)14(2,3)9-16/h4-5,7,12,18H,6,8-9H2,1-3H3.
What are the key properties of 1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone?
1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 112747183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).