1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one

C13H25NO3 — CID 84601023

IUPAC1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one
SMILESCC(C)OCCCC(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C13H25NO3/c1-11(2)17-9-4-6-12(15)14-8-5-7-13(3,16)10-14/h11,16H,4-10H2,1-3H3
InChIKeyBRXVYBZGWMGGBQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.57
Rot. Bonds5

About 1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one

1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one (PubChem CID 84601023) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one
PubChem CID84601023
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one
SMILESCC(C)OCCCC(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C13H25NO3/c1-11(2)17-9-4-6-12(15)14-8-5-7-13(3,16)10-14/h11,16H,4-10H2,1-3H3
InChIKeyBRXVYBZGWMGGBQ-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-hydroxy-1-morpholin-4-ylhexan-1-one
CID 155936027
5-(Dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one
CID 3050000
N,N-diethyl-4-hydroxy-5-morpholin-4-ylpentanamide
CID 3050006
2-Fluoro-1-(3-hydroxy-5-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 131002545
1-(3-Hydroxypiperidin-1-yl)-4-methylpentan-1-one
CID 17918017
1-(3-Hydroxypiperidin-1-yl)butan-1-one
CID 43415659
1-(3-Hydroxypiperidin-1-yl)-3-methylbutan-1-one
CID 43415672
1-(3-Hydroxypiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 43415682
4-Hydroxy-1-morpholin-4-ylpentan-1-one
CID 53996862
4-Hydroxy-2-methyl-1-morpholin-4-ylbutan-1-one
CID 54112168
4-Hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 54350299
2-Hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one
CID 57024628

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one?
The IUPAC name of 1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one (CID 84601023) is 1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one.
What is the SMILES notation for 1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one?
The canonical SMILES for 1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one is CC(C)OCCCC(=O)N1CCCC(C)(O)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one?
The InChIKey is BRXVYBZGWMGGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(2)17-9-4-6-12(15)14-8-5-7-13(3,16)10-14/h11,16H,4-10H2,1-3H3.
What are the key properties of 1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one?
1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one has a molecular weight of 243.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one is sourced from PubChem (CID 84601023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).