1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone

C15H30N2O — CID 54222474

IUPAC1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
SMILESCCCCNC1CC(C)(C)N(C(C)=O)C(C)(C)C1
InChIInChI=1S/C15H30N2O/c1-7-8-9-16-13-10-14(3,4)17(12(2)18)15(5,6)11-13/h13,16H,7-11H2,1-6H3
InChIKeyQDOHUBYKJHATLS-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.94
Rot. Bonds4

About 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone

1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone (PubChem CID 54222474) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
PubChem CID54222474
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
SMILESCCCCNC1CC(C)(C)N(C(C)=O)C(C)(C)C1
InChIInChI=1S/C15H30N2O/c1-7-8-9-16-13-10-14(3,4)17(12(2)18)15(5,6)11-13/h13,16H,7-11H2,1-6H3
InChIKeyQDOHUBYKJHATLS-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone (CID 54222474) is 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone is CCCCNC1CC(C)(C)N(C(C)=O)C(C)(C)C1.
What is the InChIKey of 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
The InChIKey is QDOHUBYKJHATLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-7-8-9-16-13-10-14(3,4)17(12(2)18)15(5,6)11-13/h13,16H,7-11H2,1-6H3.
What are the key properties of 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone has a molecular weight of 254.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 54222474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).