1-butoxypiperidin-4-one

C9H17NO2 — CID 57163530

IUPAC1-butoxypiperidin-4-one
SMILESCCCCON1CCC(=O)CC1
InChIInChI=1S/C9H17NO2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h2-8H2,1H3
InChIKeyQBKHJEJYUDUUDR-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds4

About 1-butoxypiperidin-4-one

1-butoxypiperidin-4-one (PubChem CID 57163530) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-butoxypiperidin-4-one.

Molecular Properties

Compound Name1-butoxypiperidin-4-one
PubChem CID57163530
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-butoxypiperidin-4-one
SMILESCCCCON1CCC(=O)CC1
InChIInChI=1S/C9H17NO2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h2-8H2,1H3
InChIKeyQBKHJEJYUDUUDR-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pentoxypiperidine
CID 57031224
1-(4-butoxybutyl)piperidin-4-one
CID 70278532
1-(5-butoxypentyl)piperidin-4-one
CID 18001872
1-(6-butoxyhexyl)piperidin-4-one
CID 70277022
butane;1-butylpiperidin-4-one
CID 177152756
butyl 4-oxoazepane-1-carboxylate
CID 23137098
1-pentadecylpiperidin-4-one
CID 10267366
1-(5-propoxypentyl)piperidin-4-one
CID 70277123
butyl 2,4-dioxopiperidine-1-carboxylate
CID 175709097
1-(diethyl-λ3-iodanyl)piperidin-4-one
CID 156702521
1-heptan-3-ylpiperidin-4-one
CID 22937465
cyclopentanone;heptane
CID 20975482

Frequently Asked Questions

What is the IUPAC name of 1-butoxypiperidin-4-one?
The IUPAC name of 1-butoxypiperidin-4-one (CID 57163530) is 1-butoxypiperidin-4-one.
What is the SMILES notation for 1-butoxypiperidin-4-one?
The canonical SMILES for 1-butoxypiperidin-4-one is CCCCON1CCC(=O)CC1.
What is the InChIKey of 1-butoxypiperidin-4-one?
The InChIKey is QBKHJEJYUDUUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h2-8H2,1H3.
What are the key properties of 1-butoxypiperidin-4-one?
1-butoxypiperidin-4-one has a molecular weight of 171.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxypiperidin-4-one is sourced from PubChem (CID 57163530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).