1-butan-2-ylpiperidin-4-one

C9H17NO — CID 13182807

IUPAC1-butan-2-ylpiperidin-4-one
SMILESCCC(C)N1CCC(=O)CC1
InChIInChI=1S/C9H17NO/c1-3-8(2)10-6-4-9(11)5-7-10/h8H,3-7H2,1-2H3
InChIKeyXYIMUBJXPVXFMF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.45
Rot. Bonds2

About 1-butan-2-ylpiperidin-4-one

1-butan-2-ylpiperidin-4-one (PubChem CID 13182807) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-butan-2-ylpiperidin-4-one.

Molecular Properties

Compound Name1-butan-2-ylpiperidin-4-one
PubChem CID13182807
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-butan-2-ylpiperidin-4-one
SMILESCCC(C)N1CCC(=O)CC1
InChIInChI=1S/C9H17NO/c1-3-8(2)10-6-4-9(11)5-7-10/h8H,3-7H2,1-2H3
InChIKeyXYIMUBJXPVXFMF-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylpiperidin-4-one?
The IUPAC name of 1-butan-2-ylpiperidin-4-one (CID 13182807) is 1-butan-2-ylpiperidin-4-one.
What is the SMILES notation for 1-butan-2-ylpiperidin-4-one?
The canonical SMILES for 1-butan-2-ylpiperidin-4-one is CCC(C)N1CCC(=O)CC1.
What is the InChIKey of 1-butan-2-ylpiperidin-4-one?
The InChIKey is XYIMUBJXPVXFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8(2)10-6-4-9(11)5-7-10/h8H,3-7H2,1-2H3.
What are the key properties of 1-butan-2-ylpiperidin-4-one?
1-butan-2-ylpiperidin-4-one has a molecular weight of 155.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylpiperidin-4-one is sourced from PubChem (CID 13182807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).