1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone

C12H23NO2 — CID 79355582

IUPAC1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(CCC(C)(C)O)CC1
InChIInChI=1S/C12H23NO2/c1-10(14)11-4-7-13(8-5-11)9-6-12(2,3)15/h11,15H,4-9H2,1-3H3
InChIKeyOHQBMZHYINGSPD-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.45
Rot. Bonds4

About 1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone

1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone (PubChem CID 79355582) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone
PubChem CID79355582
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(CCC(C)(C)O)CC1
InChIInChI=1S/C12H23NO2/c1-10(14)11-4-7-13(8-5-11)9-6-12(2,3)15/h11,15H,4-9H2,1-3H3
InChIKeyOHQBMZHYINGSPD-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone
CID 79355581
2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol
CID 79316334
methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate
CID 79823137
N-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]cyclobutanecarboxamide
CID 99775471
1-[1-(3-methylbut-3-enyl)piperidin-4-yl]ethanone
CID 114472635
1-(1-but-3-ynylpiperidin-4-yl)ethanone
CID 63846870
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanone
CID 63846320
1-(3,3-dimethylbutyl)piperidine-4-carboxamide
CID 20792956
1-[4-(3-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]ethanone
CID 79316912
1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone
CID 63846150
2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79356027
2-(4-acetylpiperidin-1-yl)acetamide
CID 59463755

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone (CID 79355582) is 1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(CCC(C)(C)O)CC1.
What is the InChIKey of 1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone?
The InChIKey is OHQBMZHYINGSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(14)11-4-7-13(8-5-11)9-6-12(2,3)15/h11,15H,4-9H2,1-3H3.
What are the key properties of 1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone?
1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone has a molecular weight of 213.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 79355582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).