3-butylpiperidin-4-one

C9H17NO — CID 53417508

IUPAC3-butylpiperidin-4-one
SMILESCCCCC1CNCCC1=O
InChIInChI=1S/C9H17NO/c1-2-3-4-8-7-10-6-5-9(8)11/h8,10H,2-7H2,1H3
InChIKeyRIWKSZTVWUZLPQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.36
Rot. Bonds3

About 3-butylpiperidin-4-one

3-butylpiperidin-4-one (PubChem CID 53417508) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-butylpiperidin-4-one.

Molecular Properties

Compound Name3-butylpiperidin-4-one
PubChem CID53417508
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-butylpiperidin-4-one
SMILESCCCCC1CNCCC1=O
InChIInChI=1S/C9H17NO/c1-2-3-4-8-7-10-6-5-9(8)11/h8,10H,2-7H2,1H3
InChIKeyRIWKSZTVWUZLPQ-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butylpiperidin-4-one?
The IUPAC name of 3-butylpiperidin-4-one (CID 53417508) is 3-butylpiperidin-4-one.
What is the SMILES notation for 3-butylpiperidin-4-one?
The canonical SMILES for 3-butylpiperidin-4-one is CCCCC1CNCCC1=O.
What is the InChIKey of 3-butylpiperidin-4-one?
The InChIKey is RIWKSZTVWUZLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-4-8-7-10-6-5-9(8)11/h8,10H,2-7H2,1H3.
What are the key properties of 3-butylpiperidin-4-one?
3-butylpiperidin-4-one has a molecular weight of 155.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylpiperidin-4-one is sourced from PubChem (CID 53417508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).