4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid

C27H53NO2 — CID 135235524

IUPAC4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid
SMILESCCCCCCCCCCCCCCC(CCC(=O)O)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C27H53NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-24(20-21-25(29)30)28-26(2,3)22-18-23-27(28,4)5/h24H,6-23H2,1-5H3,(H,29,30)
InChIKeyYBFOCRIDQFVZEA-UHFFFAOYSA-N
MW423.73 g/mol
LogP8.35
Rot. Bonds17

About 4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid

4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid (PubChem CID 135235524) has the molecular formula C27H53NO2 and a molecular weight of 423.73 g/mol. Its IUPAC name is 4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid.

Molecular Properties

Compound Name4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid
PubChem CID135235524
Molecular FormulaC27H53NO2
Molecular Weight423.73 g/mol
Exact Mass423.41
IUPAC Name4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid
SMILESCCCCCCCCCCCCCCC(CCC(=O)O)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C27H53NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-24(20-21-25(29)30)28-26(2,3)22-18-23-27(28,4)5/h24H,6-23H2,1-5H3,(H,29,30)
InChIKeyYBFOCRIDQFVZEA-UHFFFAOYSA-N
XLogP8.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.73
LogP ≤ 58.35
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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Related Compounds

1-ethyl-1-[2-(2,2,6,6-tetramethylpiperidin-1-yl)heptyl]hydrazine
CID 70412758
4-decyl-11-pentylnonadecanoic acid
CID 57279723
hexadecanoic acid;2,2,6,6-tetramethylpiperidine
CID 175009118
5-oxo-4-(2,2,6,6-tetramethylpiperidin-1-yl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoic acid
CID 67842348
4-hydroxyhexadecanoic acid
CID 5282904
dodecane-1,1-diol;hexanedioic acid
CID 160695318
hexane-1,1-diol;tetradecanedioic acid
CID 175798727
4-aminoicosanoic acid
CID 57269724
4-aminooctadecanoic acid
CID 154390224
decanedioic acid;tetradecane-1,1-diol
CID 175902897
dodecane-1,1-diol;bis(dodecanoic acid)
CID 121388000
4-methyltetradecanoic acid
CID 23454322

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid?
The IUPAC name of 4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid (CID 135235524) is 4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid.
What is the SMILES notation for 4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid?
The canonical SMILES for 4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid is CCCCCCCCCCCCCCC(CCC(=O)O)N1C(C)(C)CCCC1(C)C.
What is the InChIKey of 4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid?
The InChIKey is YBFOCRIDQFVZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-24(20-21-25(29)30)28-26(2,3)22-18-23-27(28,4)5/h24H,6-23H2,1-5H3,(H,29,30).
What are the key properties of 4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid?
4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid has a molecular weight of 423.73 g/mol, XLogP of 8.35, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid is sourced from PubChem (CID 135235524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).