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

C12H23NO2 — CID 79355581

IUPAC1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CCC(C)(C)O)C1
InChIInChI=1S/C12H23NO2/c1-10(14)11-5-4-7-13(9-11)8-6-12(2,3)15/h11,15H,4-9H2,1-3H3
InChIKeyAQASJMHGAUXDDO-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.45
Rot. Bonds4

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

1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone (PubChem CID 79355581) 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-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone
PubChem CID79355581
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CCC(C)(C)O)C1
InChIInChI=1S/C12H23NO2/c1-10(14)11-5-4-7-13(9-11)8-6-12(2,3)15/h11,15H,4-9H2,1-3H3
InChIKeyAQASJMHGAUXDDO-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

ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
CID 79316103
1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone
CID 79355582
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115
1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone
CID 63847030
1-(3,3-difluorobutyl)piperidine-3-carboxylic acid
CID 84686575
methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate
CID 79823137
3-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]propanoic acid
CID 79356125
2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 63844591
1-[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]ethanone
CID 106452872
2-(3-acetylpiperidin-1-yl)-N-carbamoylacetamide
CID 63846142
1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone
CID 63901490
4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79354793

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone (CID 79355581) is 1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(CCC(C)(C)O)C1.
What is the InChIKey of 1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone?
The InChIKey is AQASJMHGAUXDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(14)11-5-4-7-13(9-11)8-6-12(2,3)15/h11,15H,4-9H2,1-3H3.
What are the key properties of 1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone?
1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-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-3-yl]ethanone is sourced from PubChem (CID 79355581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).