1-tert-butyl-5-propylpiperidin-2-one

C12H23NO — CID 139951317

IUPAC1-tert-butyl-5-propylpiperidin-2-one
SMILESCCCC1CCC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C12H23NO/c1-5-6-10-7-8-11(14)13(9-10)12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyOGLCKNJFTTWZCO-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.82
Rot. Bonds2

About 1-tert-butyl-5-propylpiperidin-2-one

1-tert-butyl-5-propylpiperidin-2-one (PubChem CID 139951317) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-tert-butyl-5-propylpiperidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-5-propylpiperidin-2-one
PubChem CID139951317
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-tert-butyl-5-propylpiperidin-2-one
SMILESCCCC1CCC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C12H23NO/c1-5-6-10-7-8-11(14)13(9-10)12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyOGLCKNJFTTWZCO-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-propylpiperidin-2-one?
The IUPAC name of 1-tert-butyl-5-propylpiperidin-2-one (CID 139951317) is 1-tert-butyl-5-propylpiperidin-2-one.
What is the SMILES notation for 1-tert-butyl-5-propylpiperidin-2-one?
The canonical SMILES for 1-tert-butyl-5-propylpiperidin-2-one is CCCC1CCC(=O)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-5-propylpiperidin-2-one?
The InChIKey is OGLCKNJFTTWZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-6-10-7-8-11(14)13(9-10)12(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-5-propylpiperidin-2-one?
1-tert-butyl-5-propylpiperidin-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-propylpiperidin-2-one is sourced from PubChem (CID 139951317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).