2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone

C13H18N2O2 — CID 95841872

IUPAC2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CO)N1CCC[C@H](Cc2cccnc2)C1
InChIInChI=1S/C13H18N2O2/c16-10-13(17)15-6-2-4-12(9-15)7-11-3-1-5-14-8-11/h1,3,5,8,12,16H,2,4,6-7,9-10H2/t12-/m1/s1
InChIKeySXNNECNWWZYLBM-GFCCVEGCSA-N
MW234.30 g/mol
LogP0.86
Rot. Bonds3

About 2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone

2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 95841872) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
PubChem CID95841872
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CO)N1CCC[C@H](Cc2cccnc2)C1
InChIInChI=1S/C13H18N2O2/c16-10-13(17)15-6-2-4-12(9-15)7-11-3-1-5-14-8-11/h1,3,5,8,12,16H,2,4,6-7,9-10H2/t12-/m1/s1
InChIKeySXNNECNWWZYLBM-GFCCVEGCSA-N
XLogP0.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 125024467
1,3-oxazol-5-yl-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 95846143
2-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124995664
3-(2-methylpyrazol-3-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 118740370
(4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652412
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125000817
(2-cyclopropylpyrimidin-5-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110103373
1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124990141
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone (CID 95841872) is 2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone is O=C(CO)N1CCC[C@H](Cc2cccnc2)C1.
What is the InChIKey of 2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is SXNNECNWWZYLBM-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-10-13(17)15-6-2-4-12(9-15)7-11-3-1-5-14-8-11/h1,3,5,8,12,16H,2,4,6-7,9-10H2/t12-/m1/s1.
What are the key properties of 2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95841872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).