1,2,6-tritert-butylpiperidin-4-one

C17H33NO — CID 71496404

IUPAC1,2,6-tritert-butylpiperidin-4-one
SMILESCC(C)(C)C1CC(=O)CC(C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C17H33NO/c1-15(2,3)13-10-12(19)11-14(16(4,5)6)18(13)17(7,8)9/h13-14H,10-11H2,1-9H3
InChIKeyWQMIHDHXRLMSIL-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.28
Rot. Bonds

About 1,2,6-tritert-butylpiperidin-4-one

1,2,6-tritert-butylpiperidin-4-one (PubChem CID 71496404) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1,2,6-tritert-butylpiperidin-4-one.

Molecular Properties

Compound Name1,2,6-tritert-butylpiperidin-4-one
PubChem CID71496404
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1,2,6-tritert-butylpiperidin-4-one
SMILESCC(C)(C)C1CC(=O)CC(C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C17H33NO/c1-15(2,3)13-10-12(19)11-14(16(4,5)6)18(13)17(7,8)9/h13-14H,10-11H2,1-9H3
InChIKeyWQMIHDHXRLMSIL-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,6-tritert-butylpiperidin-4-one?
The IUPAC name of 1,2,6-tritert-butylpiperidin-4-one (CID 71496404) is 1,2,6-tritert-butylpiperidin-4-one.
What is the SMILES notation for 1,2,6-tritert-butylpiperidin-4-one?
The canonical SMILES for 1,2,6-tritert-butylpiperidin-4-one is CC(C)(C)C1CC(=O)CC(C(C)(C)C)N1C(C)(C)C.
What is the InChIKey of 1,2,6-tritert-butylpiperidin-4-one?
The InChIKey is WQMIHDHXRLMSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-15(2,3)13-10-12(19)11-14(16(4,5)6)18(13)17(7,8)9/h13-14H,10-11H2,1-9H3.
What are the key properties of 1,2,6-tritert-butylpiperidin-4-one?
1,2,6-tritert-butylpiperidin-4-one has a molecular weight of 267.46 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-tritert-butylpiperidin-4-one is sourced from PubChem (CID 71496404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).