2,5-dimethylpiperidin-4-one

C7H13NO — CID 11228802

IUPAC2,5-dimethylpiperidin-4-one
SMILESCC1CC(=O)C(C)CN1
InChIInChI=1S/C7H13NO/c1-5-4-8-6(2)3-7(5)9/h5-6,8H,3-4H2,1-2H3
InChIKeyKZAGJHDAWXVDQX-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.57
Rot. Bonds

About 2,5-dimethylpiperidin-4-one

2,5-dimethylpiperidin-4-one (PubChem CID 11228802) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,5-dimethylpiperidin-4-one.

Molecular Properties

Compound Name2,5-dimethylpiperidin-4-one
PubChem CID11228802
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,5-dimethylpiperidin-4-one
SMILESCC1CC(=O)C(C)CN1
InChIInChI=1S/C7H13NO/c1-5-4-8-6(2)3-7(5)9/h5-6,8H,3-4H2,1-2H3
InChIKeyKZAGJHDAWXVDQX-UHFFFAOYSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpiperidin-4-one?
The IUPAC name of 2,5-dimethylpiperidin-4-one (CID 11228802) is 2,5-dimethylpiperidin-4-one.
What is the SMILES notation for 2,5-dimethylpiperidin-4-one?
The canonical SMILES for 2,5-dimethylpiperidin-4-one is CC1CC(=O)C(C)CN1.
What is the InChIKey of 2,5-dimethylpiperidin-4-one?
The InChIKey is KZAGJHDAWXVDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-4-8-6(2)3-7(5)9/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethylpiperidin-4-one?
2,5-dimethylpiperidin-4-one has a molecular weight of 127.19 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpiperidin-4-one is sourced from PubChem (CID 11228802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).