1-(2-methylbutan-2-yl)piperidin-3-one

C10H19NO — CID 139881605

IUPAC1-(2-methylbutan-2-yl)piperidin-3-one
SMILESCCC(C)(C)N1CCCC(=O)C1
InChIInChI=1S/C10H19NO/c1-4-10(2,3)11-7-5-6-9(12)8-11/h4-8H2,1-3H3
InChIKeyONCSOKLTIXNDCE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.84
Rot. Bonds2

About 1-(2-methylbutan-2-yl)piperidin-3-one

1-(2-methylbutan-2-yl)piperidin-3-one (PubChem CID 139881605) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)piperidin-3-one.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)piperidin-3-one
PubChem CID139881605
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2-methylbutan-2-yl)piperidin-3-one
SMILESCCC(C)(C)N1CCCC(=O)C1
InChIInChI=1S/C10H19NO/c1-4-10(2,3)11-7-5-6-9(12)8-11/h4-8H2,1-3H3
InChIKeyONCSOKLTIXNDCE-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)piperidin-3-one?
The IUPAC name of 1-(2-methylbutan-2-yl)piperidin-3-one (CID 139881605) is 1-(2-methylbutan-2-yl)piperidin-3-one.
What is the SMILES notation for 1-(2-methylbutan-2-yl)piperidin-3-one?
The canonical SMILES for 1-(2-methylbutan-2-yl)piperidin-3-one is CCC(C)(C)N1CCCC(=O)C1.
What is the InChIKey of 1-(2-methylbutan-2-yl)piperidin-3-one?
The InChIKey is ONCSOKLTIXNDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-10(2,3)11-7-5-6-9(12)8-11/h4-8H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-yl)piperidin-3-one?
1-(2-methylbutan-2-yl)piperidin-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)piperidin-3-one is sourced from PubChem (CID 139881605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).