4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one

C13H25NO — CID 83982945

IUPAC4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one
SMILESCC(=O)CCC1CCCN(CC(C)C)C1
InChIInChI=1S/C13H25NO/c1-11(2)9-14-8-4-5-13(10-14)7-6-12(3)15/h11,13H,4-10H2,1-3H3
InChIKeyACCNHJKSFSNHMU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds5

About 4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one

4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one (PubChem CID 83982945) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one.

Molecular Properties

Compound Name4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one
PubChem CID83982945
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one
SMILESCC(=O)CCC1CCCN(CC(C)C)C1
InChIInChI=1S/C13H25NO/c1-11(2)9-14-8-4-5-13(10-14)7-6-12(3)15/h11,13H,4-10H2,1-3H3
InChIKeyACCNHJKSFSNHMU-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one?
The IUPAC name of 4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one (CID 83982945) is 4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one.
What is the SMILES notation for 4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one?
The canonical SMILES for 4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one is CC(=O)CCC1CCCN(CC(C)C)C1.
What is the InChIKey of 4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one?
The InChIKey is ACCNHJKSFSNHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)9-14-8-4-5-13(10-14)7-6-12(3)15/h11,13H,4-10H2,1-3H3.
What are the key properties of 4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one?
4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one is sourced from PubChem (CID 83982945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).