1-piperidin-4-yloxyhex-5-yn-2-one

C11H17NO2 — CID 116571144

IUPAC1-piperidin-4-yloxyhex-5-yn-2-one
SMILESC#CCCC(=O)COC1CCNCC1
InChIInChI=1S/C11H17NO2/c1-2-3-4-10(13)9-14-11-5-7-12-8-6-11/h1,11-12H,3-9H2
InChIKeyPRGJFOPUQCJZKY-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.74
Rot. Bonds5

About 1-piperidin-4-yloxyhex-5-yn-2-one

1-piperidin-4-yloxyhex-5-yn-2-one (PubChem CID 116571144) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-piperidin-4-yloxyhex-5-yn-2-one.

Molecular Properties

Compound Name1-piperidin-4-yloxyhex-5-yn-2-one
PubChem CID116571144
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-piperidin-4-yloxyhex-5-yn-2-one
SMILESC#CCCC(=O)COC1CCNCC1
InChIInChI=1S/C11H17NO2/c1-2-3-4-10(13)9-14-11-5-7-12-8-6-11/h1,11-12H,3-9H2
InChIKeyPRGJFOPUQCJZKY-UHFFFAOYSA-N
XLogP0.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yloxyhex-5-yn-2-one?
The IUPAC name of 1-piperidin-4-yloxyhex-5-yn-2-one (CID 116571144) is 1-piperidin-4-yloxyhex-5-yn-2-one.
What is the SMILES notation for 1-piperidin-4-yloxyhex-5-yn-2-one?
The canonical SMILES for 1-piperidin-4-yloxyhex-5-yn-2-one is C#CCCC(=O)COC1CCNCC1.
What is the InChIKey of 1-piperidin-4-yloxyhex-5-yn-2-one?
The InChIKey is PRGJFOPUQCJZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-4-10(13)9-14-11-5-7-12-8-6-11/h1,11-12H,3-9H2.
What are the key properties of 1-piperidin-4-yloxyhex-5-yn-2-one?
1-piperidin-4-yloxyhex-5-yn-2-one has a molecular weight of 195.26 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yloxyhex-5-yn-2-one is sourced from PubChem (CID 116571144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).