1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one

C9H17NO3 — CID 104550721

IUPAC1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
SMILESCC(CO)(CO)N1CCCCC1=O
InChIInChI=1S/C9H17NO3/c1-9(6-11,7-12)10-5-3-2-4-8(10)13/h11-12H,2-7H2,1H3
InChIKeyARQZFJYRHBQMAW-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.26
Rot. Bonds3

About 1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one

1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one (PubChem CID 104550721) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
PubChem CID104550721
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
SMILESCC(CO)(CO)N1CCCCC1=O
InChIInChI=1S/C9H17NO3/c1-9(6-11,7-12)10-5-3-2-4-8(10)13/h11-12H,2-7H2,1H3
InChIKeyARQZFJYRHBQMAW-UHFFFAOYSA-N
XLogP-0.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one?
The IUPAC name of 1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one (CID 104550721) is 1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one.
What is the SMILES notation for 1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one?
The canonical SMILES for 1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one is CC(CO)(CO)N1CCCCC1=O.
What is the InChIKey of 1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one?
The InChIKey is ARQZFJYRHBQMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(6-11,7-12)10-5-3-2-4-8(10)13/h11-12H,2-7H2,1H3.
What are the key properties of 1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one?
1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one has a molecular weight of 187.24 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one is sourced from PubChem (CID 104550721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).