1-piperidin-4-yloxyhexan-3-one

C11H21NO2 — CID 116572199

IUPAC1-piperidin-4-yloxyhexan-3-one
SMILESCCCC(=O)CCOC1CCNCC1
InChIInChI=1S/C11H21NO2/c1-2-3-10(13)6-9-14-11-4-7-12-8-5-11/h11-12H,2-9H2,1H3
InChIKeyDFYKSHGEEOYYGQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.51
Rot. Bonds6

About 1-piperidin-4-yloxyhexan-3-one

1-piperidin-4-yloxyhexan-3-one (PubChem CID 116572199) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-piperidin-4-yloxyhexan-3-one.

Molecular Properties

Compound Name1-piperidin-4-yloxyhexan-3-one
PubChem CID116572199
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-piperidin-4-yloxyhexan-3-one
SMILESCCCC(=O)CCOC1CCNCC1
InChIInChI=1S/C11H21NO2/c1-2-3-10(13)6-9-14-11-4-7-12-8-5-11/h11-12H,2-9H2,1H3
InChIKeyDFYKSHGEEOYYGQ-UHFFFAOYSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yloxyhexan-3-one?
The IUPAC name of 1-piperidin-4-yloxyhexan-3-one (CID 116572199) is 1-piperidin-4-yloxyhexan-3-one.
What is the SMILES notation for 1-piperidin-4-yloxyhexan-3-one?
The canonical SMILES for 1-piperidin-4-yloxyhexan-3-one is CCCC(=O)CCOC1CCNCC1.
What is the InChIKey of 1-piperidin-4-yloxyhexan-3-one?
The InChIKey is DFYKSHGEEOYYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-10(13)6-9-14-11-4-7-12-8-5-11/h11-12H,2-9H2,1H3.
What are the key properties of 1-piperidin-4-yloxyhexan-3-one?
1-piperidin-4-yloxyhexan-3-one has a molecular weight of 199.29 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yloxyhexan-3-one is sourced from PubChem (CID 116572199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).