1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one

C9H17NO3 — CID 118217486

IUPAC1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(O)C(O)C1
InChIInChI=1S/C9H17NO3/c1-6(2)9(13)10-4-3-7(11)8(12)5-10/h6-8,11-12H,3-5H2,1-2H3
InChIKeyKIHRMXIAZMKCIG-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.40
Rot. Bonds1

About 1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one

1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 118217486) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one
PubChem CID118217486
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(O)C(O)C1
InChIInChI=1S/C9H17NO3/c1-6(2)9(13)10-4-3-7(11)8(12)5-10/h6-8,11-12H,3-5H2,1-2H3
InChIKeyKIHRMXIAZMKCIG-UHFFFAOYSA-N
XLogP-0.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533
1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 131131296
methyl 3,4-dihydroxypiperidine-1-carboxylate
CID 12575843
(3S)-1-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-hydroxy-4-methylpentan-1-one
CID 166250201
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
[1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite
CID 138648412
2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
CID 140629108
1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 131320738
1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[(4S)-4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-3-yl]-2-methylpropan-1-one
CID 134565803
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one (CID 118217486) is 1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCC(O)C(O)C1.
What is the InChIKey of 1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is KIHRMXIAZMKCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)9(13)10-4-3-7(11)8(12)5-10/h6-8,11-12H,3-5H2,1-2H3.
What are the key properties of 1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one?
1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 187.24 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 118217486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).