5-tert-butylpiperidin-2-one

C9H17NO — CID 20793008

IUPAC5-tert-butylpiperidin-2-one
SMILESCC(C)(C)C1CCC(=O)NC1
InChIInChI=1S/C9H17NO/c1-9(2,3)7-4-5-8(11)10-6-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyLANVXPAJQOJQFF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.56
Rot. Bonds

About 5-tert-butylpiperidin-2-one

5-tert-butylpiperidin-2-one (PubChem CID 20793008) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-tert-butylpiperidin-2-one.

Molecular Properties

Compound Name5-tert-butylpiperidin-2-one
PubChem CID20793008
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-tert-butylpiperidin-2-one
SMILESCC(C)(C)C1CCC(=O)NC1
InChIInChI=1S/C9H17NO/c1-9(2,3)7-4-5-8(11)10-6-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyLANVXPAJQOJQFF-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylpiperidin-2-one?
The IUPAC name of 5-tert-butylpiperidin-2-one (CID 20793008) is 5-tert-butylpiperidin-2-one.
What is the SMILES notation for 5-tert-butylpiperidin-2-one?
The canonical SMILES for 5-tert-butylpiperidin-2-one is CC(C)(C)C1CCC(=O)NC1.
What is the InChIKey of 5-tert-butylpiperidin-2-one?
The InChIKey is LANVXPAJQOJQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2,3)7-4-5-8(11)10-6-7/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 5-tert-butylpiperidin-2-one?
5-tert-butylpiperidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylpiperidin-2-one is sourced from PubChem (CID 20793008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).