2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one

C9H17NO3 — CID 77411608

IUPAC2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCN(C(=O)C(C)O)CC1
InChIInChI=1S/C9H17NO3/c1-7(11)9(12)10-5-3-8(13-2)4-6-10/h7-8,11H,3-6H2,1-2H3
InChIKeyRAOZKVBENZHWPH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.00
Rot. Bonds2

About 2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one

2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one (PubChem CID 77411608) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
PubChem CID77411608
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCN(C(=O)C(C)O)CC1
InChIInChI=1S/C9H17NO3/c1-7(11)9(12)10-5-3-8(13-2)4-6-10/h7-8,11H,3-6H2,1-2H3
InChIKeyRAOZKVBENZHWPH-UHFFFAOYSA-N
XLogP0.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77474038
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 61155723
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 79011459
1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196326
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 79025055
2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 43649581
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 165116537
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
1-(3-methoxypyrrolidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107037146
3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61199165
2-bromo-1-(3-methoxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 103531419

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one (CID 77411608) is 2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one is COC1CCN(C(=O)C(C)O)CC1.
What is the InChIKey of 2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one?
The InChIKey is RAOZKVBENZHWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(11)9(12)10-5-3-8(13-2)4-6-10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one?
2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one has a molecular weight of 187.24 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 77411608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).