1,2-di(propan-2-yl)piperidin-4-one

C11H21NO — CID 83636375

IUPAC1,2-di(propan-2-yl)piperidin-4-one
SMILESCC(C)C1CC(=O)CCN1C(C)C
InChIInChI=1S/C11H21NO/c1-8(2)11-7-10(13)5-6-12(11)9(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyYQERUVVBQVXBOP-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.08
Rot. Bonds2

About 1,2-di(propan-2-yl)piperidin-4-one

1,2-di(propan-2-yl)piperidin-4-one (PubChem CID 83636375) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)piperidin-4-one.

Molecular Properties

Compound Name1,2-di(propan-2-yl)piperidin-4-one
PubChem CID83636375
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1,2-di(propan-2-yl)piperidin-4-one
SMILESCC(C)C1CC(=O)CCN1C(C)C
InChIInChI=1S/C11H21NO/c1-8(2)11-7-10(13)5-6-12(11)9(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyYQERUVVBQVXBOP-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)piperidin-4-one?
The IUPAC name of 1,2-di(propan-2-yl)piperidin-4-one (CID 83636375) is 1,2-di(propan-2-yl)piperidin-4-one.
What is the SMILES notation for 1,2-di(propan-2-yl)piperidin-4-one?
The canonical SMILES for 1,2-di(propan-2-yl)piperidin-4-one is CC(C)C1CC(=O)CCN1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)piperidin-4-one?
The InChIKey is YQERUVVBQVXBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)11-7-10(13)5-6-12(11)9(3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)piperidin-4-one?
1,2-di(propan-2-yl)piperidin-4-one has a molecular weight of 183.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)piperidin-4-one is sourced from PubChem (CID 83636375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).