(2,2,6,6-tetramethylpiperidin-4-yl) heptanoate

C16H31NO2 — CID 11207937

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) heptanoate
SMILESCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H31NO2/c1-6-7-8-9-10-14(18)19-13-11-15(2,3)17-16(4,5)12-13/h13,17H,6-12H2,1-5H3
InChIKeyPWWKJRFUJIFGGD-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.81
Rot. Bonds6

About (2,2,6,6-tetramethylpiperidin-4-yl) heptanoate

(2,2,6,6-tetramethylpiperidin-4-yl) heptanoate (PubChem CID 11207937) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) heptanoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) heptanoate
PubChem CID11207937
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) heptanoate
SMILESCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H31NO2/c1-6-7-8-9-10-14(18)19-13-11-15(2,3)17-16(4,5)12-13/h13,17H,6-12H2,1-5H3
InChIKeyPWWKJRFUJIFGGD-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2,2,6,6-tetramethylpiperidin-4-yl) heptanoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) heptanoate (CID 11207937) is (2,2,6,6-tetramethylpiperidin-4-yl) heptanoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) heptanoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) heptanoate is CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) heptanoate?
The InChIKey is PWWKJRFUJIFGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-6-7-8-9-10-14(18)19-13-11-15(2,3)17-16(4,5)12-13/h13,17H,6-12H2,1-5H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) heptanoate?
(2,2,6,6-tetramethylpiperidin-4-yl) heptanoate has a molecular weight of 269.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) heptanoate is sourced from PubChem (CID 11207937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).