1-piperidin-4-yloxypentan-3-one

C10H19NO2 — CID 116572166

IUPAC1-piperidin-4-yloxypentan-3-one
SMILESCCC(=O)CCOC1CCNCC1
InChIInChI=1S/C10H19NO2/c1-2-9(12)5-8-13-10-3-6-11-7-4-10/h10-11H,2-8H2,1H3
InChIKeyATDIGKSLJOZJOZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.12
Rot. Bonds5

About 1-piperidin-4-yloxypentan-3-one

1-piperidin-4-yloxypentan-3-one (PubChem CID 116572166) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-piperidin-4-yloxypentan-3-one.

Molecular Properties

Compound Name1-piperidin-4-yloxypentan-3-one
PubChem CID116572166
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-piperidin-4-yloxypentan-3-one
SMILESCCC(=O)CCOC1CCNCC1
InChIInChI=1S/C10H19NO2/c1-2-9(12)5-8-13-10-3-6-11-7-4-10/h10-11H,2-8H2,1H3
InChIKeyATDIGKSLJOZJOZ-UHFFFAOYSA-N
XLogP1.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yloxypentan-3-one?
The IUPAC name of 1-piperidin-4-yloxypentan-3-one (CID 116572166) is 1-piperidin-4-yloxypentan-3-one.
What is the SMILES notation for 1-piperidin-4-yloxypentan-3-one?
The canonical SMILES for 1-piperidin-4-yloxypentan-3-one is CCC(=O)CCOC1CCNCC1.
What is the InChIKey of 1-piperidin-4-yloxypentan-3-one?
The InChIKey is ATDIGKSLJOZJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-9(12)5-8-13-10-3-6-11-7-4-10/h10-11H,2-8H2,1H3.
What are the key properties of 1-piperidin-4-yloxypentan-3-one?
1-piperidin-4-yloxypentan-3-one has a molecular weight of 185.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yloxypentan-3-one is sourced from PubChem (CID 116572166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).