4-piperidin-4-ylbutan-2-one

C9H17NO — CID 21392587

IUPAC4-piperidin-4-ylbutan-2-one
SMILESCC(=O)CCC1CCNCC1
InChIInChI=1S/C9H17NO/c1-8(11)2-3-9-4-6-10-7-5-9/h9-10H,2-7H2,1H3
InChIKeyOOPJCTGXRHRUIB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.36
Rot. Bonds3

About 4-piperidin-4-ylbutan-2-one

4-piperidin-4-ylbutan-2-one (PubChem CID 21392587) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-piperidin-4-ylbutan-2-one.

Molecular Properties

Compound Name4-piperidin-4-ylbutan-2-one
PubChem CID21392587
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-piperidin-4-ylbutan-2-one
SMILESCC(=O)CCC1CCNCC1
InChIInChI=1S/C9H17NO/c1-8(11)2-3-9-4-6-10-7-5-9/h9-10H,2-7H2,1H3
InChIKeyOOPJCTGXRHRUIB-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 4-piperidin-4-ylbutan-2-one?
The IUPAC name of 4-piperidin-4-ylbutan-2-one (CID 21392587) is 4-piperidin-4-ylbutan-2-one.
What is the SMILES notation for 4-piperidin-4-ylbutan-2-one?
The canonical SMILES for 4-piperidin-4-ylbutan-2-one is CC(=O)CCC1CCNCC1.
What is the InChIKey of 4-piperidin-4-ylbutan-2-one?
The InChIKey is OOPJCTGXRHRUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(11)2-3-9-4-6-10-7-5-9/h9-10H,2-7H2,1H3.
What are the key properties of 4-piperidin-4-ylbutan-2-one?
4-piperidin-4-ylbutan-2-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 4-piperidin-4-ylbutan-2-one is sourced from PubChem (CID 21392587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).