(5R)-4,5-dimethylpiperidin-2-one

C7H13NO — CID 55298895

IUPAC(5R)-4,5-dimethylpiperidin-2-one
SMILESCC1CC(=O)NC[C@@H]1C
InChIInChI=1S/C7H13NO/c1-5-3-7(9)8-4-6(5)2/h5-6H,3-4H2,1-2H3,(H,8,9)/t5?,6-/m0/s1
InChIKeyYYYQYOANTLJRGZ-GDVGLLTNSA-N
MW127.19 g/mol
LogP0.78
Rot. Bonds

About (5R)-4,5-dimethylpiperidin-2-one

(5R)-4,5-dimethylpiperidin-2-one (PubChem CID 55298895) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (5R)-4,5-dimethylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-4,5-dimethylpiperidin-2-one
PubChem CID55298895
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(5R)-4,5-dimethylpiperidin-2-one
SMILESCC1CC(=O)NC[C@@H]1C
InChIInChI=1S/C7H13NO/c1-5-3-7(9)8-4-6(5)2/h5-6H,3-4H2,1-2H3,(H,8,9)/t5?,6-/m0/s1
InChIKeyYYYQYOANTLJRGZ-GDVGLLTNSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-4,5-dimethylpiperidin-2-one?
The IUPAC name of (5R)-4,5-dimethylpiperidin-2-one (CID 55298895) is (5R)-4,5-dimethylpiperidin-2-one.
What is the SMILES notation for (5R)-4,5-dimethylpiperidin-2-one?
The canonical SMILES for (5R)-4,5-dimethylpiperidin-2-one is CC1CC(=O)NC[C@@H]1C.
What is the InChIKey of (5R)-4,5-dimethylpiperidin-2-one?
The InChIKey is YYYQYOANTLJRGZ-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-3-7(9)8-4-6(5)2/h5-6H,3-4H2,1-2H3,(H,8,9)/t5?,6-/m0/s1.
What are the key properties of (5R)-4,5-dimethylpiperidin-2-one?
(5R)-4,5-dimethylpiperidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,5-dimethylpiperidin-2-one is sourced from PubChem (CID 55298895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).