2,2-dimethylpiperidin-4-one

C7H13NO — CID 20569310

IUPAC2,2-dimethylpiperidin-4-one
SMILESCC1(C)CC(=O)CCN1
InChIInChI=1S/C7H13NO/c1-7(2)5-6(9)3-4-8-7/h8H,3-5H2,1-2H3
InChIKeyNPANULWSOUGZFU-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.72
Rot. Bonds

About 2,2-dimethylpiperidin-4-one

2,2-dimethylpiperidin-4-one (PubChem CID 20569310) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,2-dimethylpiperidin-4-one.

Molecular Properties

Compound Name2,2-dimethylpiperidin-4-one
PubChem CID20569310
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,2-dimethylpiperidin-4-one
SMILESCC1(C)CC(=O)CCN1
InChIInChI=1S/C7H13NO/c1-7(2)5-6(9)3-4-8-7/h8H,3-5H2,1-2H3
InChIKeyNPANULWSOUGZFU-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpiperidin-4-one?
The IUPAC name of 2,2-dimethylpiperidin-4-one (CID 20569310) is 2,2-dimethylpiperidin-4-one.
What is the SMILES notation for 2,2-dimethylpiperidin-4-one?
The canonical SMILES for 2,2-dimethylpiperidin-4-one is CC1(C)CC(=O)CCN1.
What is the InChIKey of 2,2-dimethylpiperidin-4-one?
The InChIKey is NPANULWSOUGZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(2)5-6(9)3-4-8-7/h8H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethylpiperidin-4-one?
2,2-dimethylpiperidin-4-one has a molecular weight of 127.19 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpiperidin-4-one is sourced from PubChem (CID 20569310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).