1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one

C8H15NO2 — CID 130847336

IUPAC1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1NCCC[C@H]1O
InChIInChI=1S/C8H15NO2/c1-6(10)5-7-8(11)3-2-4-9-7/h7-9,11H,2-5H2,1H3/t7-,8+/m0/s1
InChIKeyDFTRCLQSYLZDEW-JGVFFNPUSA-N
MW157.21 g/mol
LogP0.08
Rot. Bonds2

About 1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one

1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one (PubChem CID 130847336) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one
PubChem CID130847336
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1NCCC[C@H]1O
InChIInChI=1S/C8H15NO2/c1-6(10)5-7-8(11)3-2-4-9-7/h7-9,11H,2-5H2,1H3/t7-,8+/m0/s1
InChIKeyDFTRCLQSYLZDEW-JGVFFNPUSA-N
XLogP0.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one?
The IUPAC name of 1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one (CID 130847336) is 1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one is CC(=O)C[C@@H]1NCCC[C@H]1O.
What is the InChIKey of 1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one?
The InChIKey is DFTRCLQSYLZDEW-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(10)5-7-8(11)3-2-4-9-7/h7-9,11H,2-5H2,1H3/t7-,8+/m0/s1.
What are the key properties of 1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one?
1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one is sourced from PubChem (CID 130847336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).