1-(2-butan-2-ylphenyl)piperidin-4-one

C15H21NO — CID 131843613

IUPAC1-(2-butan-2-ylphenyl)piperidin-4-one
SMILESCCC(C)c1ccccc1N1CCC(=O)CC1
InChIInChI=1S/C15H21NO/c1-3-12(2)14-6-4-5-7-15(14)16-10-8-13(17)9-11-16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyIPKQZWZMFQPFBC-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.37
Rot. Bonds3

About 1-(2-butan-2-ylphenyl)piperidin-4-one

1-(2-butan-2-ylphenyl)piperidin-4-one (PubChem CID 131843613) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)piperidin-4-one
PubChem CID131843613
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2-butan-2-ylphenyl)piperidin-4-one
SMILESCCC(C)c1ccccc1N1CCC(=O)CC1
InChIInChI=1S/C15H21NO/c1-3-12(2)14-6-4-5-7-15(14)16-10-8-13(17)9-11-16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyIPKQZWZMFQPFBC-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)piperidin-4-one?
The IUPAC name of 1-(2-butan-2-ylphenyl)piperidin-4-one (CID 131843613) is 1-(2-butan-2-ylphenyl)piperidin-4-one.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)piperidin-4-one?
The canonical SMILES for 1-(2-butan-2-ylphenyl)piperidin-4-one is CCC(C)c1ccccc1N1CCC(=O)CC1.
What is the InChIKey of 1-(2-butan-2-ylphenyl)piperidin-4-one?
The InChIKey is IPKQZWZMFQPFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-12(2)14-6-4-5-7-15(14)16-10-8-13(17)9-11-16/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 1-(2-butan-2-ylphenyl)piperidin-4-one?
1-(2-butan-2-ylphenyl)piperidin-4-one has a molecular weight of 231.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)piperidin-4-one is sourced from PubChem (CID 131843613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).