4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one

C10H19NO3 — CID 102568031

IUPAC4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one
SMILESCOC(CCO)C(=O)N1CCCCC1
InChIInChI=1S/C10H19NO3/c1-14-9(5-8-12)10(13)11-6-3-2-4-7-11/h9,12H,2-8H2,1H3
InChIKeyLUYGAZSWZREZNI-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.40
Rot. Bonds4

About 4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one

4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one (PubChem CID 102568031) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one
PubChem CID102568031
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one
SMILESCOC(CCO)C(=O)N1CCCCC1
InChIInChI=1S/C10H19NO3/c1-14-9(5-8-12)10(13)11-6-3-2-4-7-11/h9,12H,2-8H2,1H3
InChIKeyLUYGAZSWZREZNI-UHFFFAOYSA-N
XLogP0.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-methoxy-1-pyrrolidin-1-ylbutan-1-one
CID 102568032
3-amino-1-(3-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111292
2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid
CID 153379158
3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 106111291
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 69026348
methyl 4-hydroxy-2-piperidin-1-ylbutanoate
CID 105453618
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 106159700
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one (CID 102568031) is 4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one is COC(CCO)C(=O)N1CCCCC1.
What is the InChIKey of 4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one?
The InChIKey is LUYGAZSWZREZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-9(5-8-12)10(13)11-6-3-2-4-7-11/h9,12H,2-8H2,1H3.
What are the key properties of 4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one?
4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one has a molecular weight of 201.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 102568031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).