2,5-dimethyl-1-propan-2-ylpiperidin-3-one

C10H19NO — CID 580974

IUPAC2,5-dimethyl-1-propan-2-ylpiperidin-3-one
SMILESCC1CC(=O)C(C)N(C(C)C)C1
InChIInChI=1S/C10H19NO/c1-7(2)11-6-8(3)5-10(12)9(11)4/h7-9H,5-6H2,1-4H3
InChIKeySEFPWFKZKJLGKY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.69
Rot. Bonds1

About 2,5-dimethyl-1-propan-2-ylpiperidin-3-one

2,5-dimethyl-1-propan-2-ylpiperidin-3-one (PubChem CID 580974) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,5-dimethyl-1-propan-2-ylpiperidin-3-one.

Molecular Properties

Compound Name2,5-dimethyl-1-propan-2-ylpiperidin-3-one
PubChem CID580974
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,5-dimethyl-1-propan-2-ylpiperidin-3-one
SMILESCC1CC(=O)C(C)N(C(C)C)C1
InChIInChI=1S/C10H19NO/c1-7(2)11-6-8(3)5-10(12)9(11)4/h7-9H,5-6H2,1-4H3
InChIKeySEFPWFKZKJLGKY-UHFFFAOYSA-N
XLogP1.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-propan-2-ylpiperidin-3-one?
The IUPAC name of 2,5-dimethyl-1-propan-2-ylpiperidin-3-one (CID 580974) is 2,5-dimethyl-1-propan-2-ylpiperidin-3-one.
What is the SMILES notation for 2,5-dimethyl-1-propan-2-ylpiperidin-3-one?
The canonical SMILES for 2,5-dimethyl-1-propan-2-ylpiperidin-3-one is CC1CC(=O)C(C)N(C(C)C)C1.
What is the InChIKey of 2,5-dimethyl-1-propan-2-ylpiperidin-3-one?
The InChIKey is SEFPWFKZKJLGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)11-6-8(3)5-10(12)9(11)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-propan-2-ylpiperidin-3-one?
2,5-dimethyl-1-propan-2-ylpiperidin-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-propan-2-ylpiperidin-3-one is sourced from PubChem (CID 580974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).