1-piperidin-1-ylhexane-1,3-dione

C11H19NO2 — CID 101450737

IUPAC1-piperidin-1-ylhexane-1,3-dione
SMILESCCCC(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C11H19NO2/c1-2-6-10(13)9-11(14)12-7-4-3-5-8-12/h2-9H2,1H3
InChIKeyOUECKQAXTZAKLF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.76
Rot. Bonds4

About 1-piperidin-1-ylhexane-1,3-dione

1-piperidin-1-ylhexane-1,3-dione (PubChem CID 101450737) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-piperidin-1-ylhexane-1,3-dione.

Molecular Properties

Compound Name1-piperidin-1-ylhexane-1,3-dione
PubChem CID101450737
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-piperidin-1-ylhexane-1,3-dione
SMILESCCCC(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C11H19NO2/c1-2-6-10(13)9-11(14)12-7-4-3-5-8-12/h2-9H2,1H3
InChIKeyOUECKQAXTZAKLF-UHFFFAOYSA-N
XLogP1.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-1-ylnonane-1,3-dione
CID 134893639
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pentan-2-one
CID 62044659
1-(azepan-1-yl)propan-1-one
CID 3613534
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931
cyclohexylmethanol;1-piperidin-1-ylbutan-1-one
CID 164604565
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylhexane-1,3-dione?
The IUPAC name of 1-piperidin-1-ylhexane-1,3-dione (CID 101450737) is 1-piperidin-1-ylhexane-1,3-dione.
What is the SMILES notation for 1-piperidin-1-ylhexane-1,3-dione?
The canonical SMILES for 1-piperidin-1-ylhexane-1,3-dione is CCCC(=O)CC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylhexane-1,3-dione?
The InChIKey is OUECKQAXTZAKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-6-10(13)9-11(14)12-7-4-3-5-8-12/h2-9H2,1H3.
What are the key properties of 1-piperidin-1-ylhexane-1,3-dione?
1-piperidin-1-ylhexane-1,3-dione has a molecular weight of 197.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylhexane-1,3-dione is sourced from PubChem (CID 101450737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).