[(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone

C11H20N2O2 — CID 69368276

IUPAC[(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCC[C@H](O)C1
InChIInChI=1S/C11H20N2O2/c14-10-2-1-7-13(8-10)11(15)9-3-5-12-6-4-9/h9-10,12,14H,1-8H2/t10-/m0/s1
InChIKeyAYTKKLVMLNQTNR-JTQLQIEISA-N
MW212.29 g/mol
LogP-0.03
Rot. Bonds1

About [(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone

[(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone (PubChem CID 69368276) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone
PubChem CID69368276
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCC[C@H](O)C1
InChIInChI=1S/C11H20N2O2/c14-10-2-1-7-13(8-10)11(15)9-3-5-12-6-4-9/h9-10,12,14H,1-8H2/t10-/m0/s1
InChIKeyAYTKKLVMLNQTNR-JTQLQIEISA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone (CID 69368276) is [(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone is O=C(C1CCNCC1)N1CCC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is AYTKKLVMLNQTNR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O2/c14-10-2-1-7-13(8-10)11(15)9-3-5-12-6-4-9/h9-10,12,14H,1-8H2/t10-/m0/s1.
What are the key properties of [(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone?
[(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 212.29 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypiperidin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 69368276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).