5-methyl-1-propan-2-ylpiperidin-3-one

C9H17NO — CID 574344

IUPAC5-methyl-1-propan-2-ylpiperidin-3-one
SMILESCC1CC(=O)CN(C(C)C)C1
InChIInChI=1S/C9H17NO/c1-7(2)10-5-8(3)4-9(11)6-10/h7-8H,4-6H2,1-3H3
InChIKeyUIZLUNIEKQQUFF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds1

About 5-methyl-1-propan-2-ylpiperidin-3-one

5-methyl-1-propan-2-ylpiperidin-3-one (PubChem CID 574344) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-methyl-1-propan-2-ylpiperidin-3-one.

Molecular Properties

Compound Name5-methyl-1-propan-2-ylpiperidin-3-one
PubChem CID574344
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-methyl-1-propan-2-ylpiperidin-3-one
SMILESCC1CC(=O)CN(C(C)C)C1
InChIInChI=1S/C9H17NO/c1-7(2)10-5-8(3)4-9(11)6-10/h7-8H,4-6H2,1-3H3
InChIKeyUIZLUNIEKQQUFF-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-ylpiperidin-3-one?
The IUPAC name of 5-methyl-1-propan-2-ylpiperidin-3-one (CID 574344) is 5-methyl-1-propan-2-ylpiperidin-3-one.
What is the SMILES notation for 5-methyl-1-propan-2-ylpiperidin-3-one?
The canonical SMILES for 5-methyl-1-propan-2-ylpiperidin-3-one is CC1CC(=O)CN(C(C)C)C1.
What is the InChIKey of 5-methyl-1-propan-2-ylpiperidin-3-one?
The InChIKey is UIZLUNIEKQQUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)10-5-8(3)4-9(11)6-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-methyl-1-propan-2-ylpiperidin-3-one?
5-methyl-1-propan-2-ylpiperidin-3-one has a molecular weight of 155.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-ylpiperidin-3-one is sourced from PubChem (CID 574344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).