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

C10H20NO2+ — CID 7452108

IUPAC1-[(3R,5R)-4-hydroxy-1,3,5-trimethylpiperidin-1-ium-4-yl]ethanone
SMILESCC(=O)C1(O)[C@H](C)C[NH+](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/p+1/t7-,8-/m1/s1
InChIKeyCHULCZZDSOLARY-HTQZYQBOSA-O
MW186.27 g/mol
LogP-0.89
Rot. Bonds1

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

1-[(3R,5R)-4-hydroxy-1,3,5-trimethylpiperidin-1-ium-4-yl]ethanone (PubChem CID 7452108) has the molecular formula C10H20NO2+ and a molecular weight of 186.27 g/mol. Its IUPAC name is 1-[(3R,5R)-4-hydroxy-1,3,5-trimethylpiperidin-1-ium-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,5R)-4-hydroxy-1,3,5-trimethylpiperidin-1-ium-4-yl]ethanone
PubChem CID7452108
Molecular FormulaC10H20NO2+
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name1-[(3R,5R)-4-hydroxy-1,3,5-trimethylpiperidin-1-ium-4-yl]ethanone
SMILESCC(=O)C1(O)[C@H](C)C[NH+](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/p+1/t7-,8-/m1/s1
InChIKeyCHULCZZDSOLARY-HTQZYQBOSA-O
XLogP-0.89
TPSA41.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone
CID 763057
N-[(2R)-1-acetyl-2-methylcyclopropyl]acetamide
CID 143744019
1-(3,4,5-trihydroxypiperidin-4-yl)ethanone
CID 70142980
1-(1-amino-2-methylcyclopropyl)ethanone
CID 22091718
1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid
CID 83905293
1-[(2R,3S,5S,6S)-1,2,3,4,5,6-hexahydroxycyclohexyl]ethanone
CID 139696884
1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone
CID 171582069
1-(4-hydroxy-1,4-dimethylpiperidin-1-ium-3-yl)ethanone
CID 4079044
1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone
CID 134856008
1-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolan-3-yl]ethanone
CID 57152401
1-[(2S)-2-methyl-1-(methylamino)cyclobutyl]ethanone
CID 146800799
1-(3-acetyl-1-bicyclo[1.1.1]pentanyl)ethanone
CID 11159413

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-4-hydroxy-1,3,5-trimethylpiperidin-1-ium-4-yl]ethanone?
The IUPAC name of 1-[(3R,5R)-4-hydroxy-1,3,5-trimethylpiperidin-1-ium-4-yl]ethanone (CID 7452108) is 1-[(3R,5R)-4-hydroxy-1,3,5-trimethylpiperidin-1-ium-4-yl]ethanone.
What is the SMILES notation for 1-[(3R,5R)-4-hydroxy-1,3,5-trimethylpiperidin-1-ium-4-yl]ethanone?
The canonical SMILES for 1-[(3R,5R)-4-hydroxy-1,3,5-trimethylpiperidin-1-ium-4-yl]ethanone is CC(=O)C1(O)[C@H](C)C[NH+](C)C[C@H]1C.
What is the InChIKey of 1-[(3R,5R)-4-hydroxy-1,3,5-trimethylpiperidin-1-ium-4-yl]ethanone?
The InChIKey is CHULCZZDSOLARY-HTQZYQBOSA-O. 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/p+1/t7-,8-/m1/s1.
What are the key properties of 1-[(3R,5R)-4-hydroxy-1,3,5-trimethylpiperidin-1-ium-4-yl]ethanone?
1-[(3R,5R)-4-hydroxy-1,3,5-trimethylpiperidin-1-ium-4-yl]ethanone has a molecular weight of 186.27 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-4-hydroxy-1,3,5-trimethylpiperidin-1-ium-4-yl]ethanone is sourced from PubChem (CID 7452108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).