2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one

C15H29NO — CID 79407910

IUPAC2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one
SMILESCC1C(=O)CCN(C(C)(C)CC(C)(C)C)C1C
InChIInChI=1S/C15H29NO/c1-11-12(2)16(9-8-13(11)17)15(6,7)10-14(3,4)5/h11-12H,8-10H2,1-7H3
InChIKeyPYJLYNMUXKNMDZ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds2

About 2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one

2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one (PubChem CID 79407910) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one
PubChem CID79407910
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one
SMILESCC1C(=O)CCN(C(C)(C)CC(C)(C)C)C1C
InChIInChI=1S/C15H29NO/c1-11-12(2)16(9-8-13(11)17)15(6,7)10-14(3,4)5/h11-12H,8-10H2,1-7H3
InChIKeyPYJLYNMUXKNMDZ-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one?
The IUPAC name of 2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one (CID 79407910) is 2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one.
What is the SMILES notation for 2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one?
The canonical SMILES for 2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one is CC1C(=O)CCN(C(C)(C)CC(C)(C)C)C1C.
What is the InChIKey of 2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one?
The InChIKey is PYJLYNMUXKNMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11-12(2)16(9-8-13(11)17)15(6,7)10-14(3,4)5/h11-12H,8-10H2,1-7H3.
What are the key properties of 2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one?
2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one has a molecular weight of 239.40 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-one is sourced from PubChem (CID 79407910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).