3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one

C15H30N2O — CID 19991763

IUPAC3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one
SMILESCCCC(NC1CC(C)(C)NC(C)(C)C1)C(C)=O
InChIInChI=1S/C15H30N2O/c1-7-8-13(11(2)18)16-12-9-14(3,4)17-15(5,6)10-12/h12-13,16-17H,7-10H2,1-6H3
InChIKeyJNFPQFHNFBCGDJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.64
Rot. Bonds5

About 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one

3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one (PubChem CID 19991763) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one.

Molecular Properties

Compound Name3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one
PubChem CID19991763
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one
SMILESCCCC(NC1CC(C)(C)NC(C)(C)C1)C(C)=O
InChIInChI=1S/C15H30N2O/c1-7-8-13(11(2)18)16-12-9-14(3,4)17-15(5,6)10-12/h12-13,16-17H,7-10H2,1-6H3
InChIKeyJNFPQFHNFBCGDJ-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one?
The IUPAC name of 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one (CID 19991763) is 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one.
What is the SMILES notation for 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one?
The canonical SMILES for 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one is CCCC(NC1CC(C)(C)NC(C)(C)C1)C(C)=O.
What is the InChIKey of 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one?
The InChIKey is JNFPQFHNFBCGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-7-8-13(11(2)18)16-12-9-14(3,4)17-15(5,6)10-12/h12-13,16-17H,7-10H2,1-6H3.
What are the key properties of 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one?
3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one has a molecular weight of 254.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexan-2-one is sourced from PubChem (CID 19991763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).