1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one

C11H21NO3 — CID 110909883

IUPAC1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one
SMILESCOCCCCC(=O)N1CCCC(O)C1
InChIInChI=1S/C11H21NO3/c1-15-8-3-2-6-11(14)12-7-4-5-10(13)9-12/h10,13H,2-9H2,1H3
InChIKeyPCUQRDMGYLWQBE-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.79
Rot. Bonds5

About 1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one

1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one (PubChem CID 110909883) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one
PubChem CID110909883
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one
SMILESCOCCCCC(=O)N1CCCC(O)C1
InChIInChI=1S/C11H21NO3/c1-15-8-3-2-6-11(14)12-7-4-5-10(13)9-12/h10,13H,2-9H2,1H3
InChIKeyPCUQRDMGYLWQBE-UHFFFAOYSA-N
XLogP0.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.79
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

1-(5-methoxypentanoyl)piperidine-3-carboxylic acid
CID 119167281
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107877953
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763
1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one
CID 107224835
ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
CID 107214957
1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119593481
1-(5-methoxypentyl)piperidin-3-ol
CID 110932736
1-(3-hydroxypyrrolidin-1-yl)tridecane-1,12-dione
CID 134480941
3-(2,2-difluoroethoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107224846

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one (CID 110909883) is 1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one is COCCCCC(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one?
The InChIKey is PCUQRDMGYLWQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-15-8-3-2-6-11(14)12-7-4-5-10(13)9-12/h10,13H,2-9H2,1H3.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one?
1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one has a molecular weight of 215.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one is sourced from PubChem (CID 110909883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).