1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone

C10H19NO2 — CID 763057

IUPAC1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(O)[C@@H](C)CN(C)C[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-7-5-11(4)6-8(2)10(7,13)9(3)12/h7-8,13H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyCHULCZZDSOLARY-YUMQZZPRSA-N
MW185.27 g/mol
LogP0.52
Rot. Bonds1

About 1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone

1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone (PubChem CID 763057) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone
PubChem CID763057
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(O)[C@@H](C)CN(C)C[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-7-5-11(4)6-8(2)10(7,13)9(3)12/h7-8,13H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyCHULCZZDSOLARY-YUMQZZPRSA-N
XLogP0.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone (CID 763057) is 1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone is CC(=O)C1(O)[C@@H](C)CN(C)C[C@@H]1C.
What is the InChIKey of 1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone?
The InChIKey is CHULCZZDSOLARY-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-5-11(4)6-8(2)10(7,13)9(3)12/h7-8,13H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of 1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone?
1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone has a molecular weight of 185.27 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone is sourced from PubChem (CID 763057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).