1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid

C29H59NO2 — CID 21292200

IUPAC1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid
SMILESCC1CC(C)(C)N(C)C(C)(C)C1.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O2.C11H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-9-7-10(2,3)12(6)11(4,5)8-9/h2-17H2,1H3,(H,19,20);9H,7-8H2,1-6H3
InChIKeyHTNSLRYGJJQUPW-UHFFFAOYSA-N
MW453.80 g/mol
LogP9.24
Rot. Bonds16

About 1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid

1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid (PubChem CID 21292200) has the molecular formula C29H59NO2 and a molecular weight of 453.80 g/mol. Its IUPAC name is 1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid.

Molecular Properties

Compound Name1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid
PubChem CID21292200
Molecular FormulaC29H59NO2
Molecular Weight453.80 g/mol
Exact Mass453.45
IUPAC Name1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid
SMILESCC1CC(C)(C)N(C)C(C)(C)C1.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O2.C11H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-9-7-10(2,3)12(6)11(4,5)8-9/h2-17H2,1H3,(H,19,20);9H,7-8H2,1-6H3
InChIKeyHTNSLRYGJJQUPW-UHFFFAOYSA-N
XLogP9.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.80
LogP ≤ 59.24
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

butane;1,2,2,4,6,6-hexamethylpiperidine;methane
CID 158536756
henicosane;tetracontanoic acid
CID 175935348
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912

Frequently Asked Questions

What is the IUPAC name of 1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid?
The IUPAC name of 1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid (CID 21292200) is 1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid.
What is the SMILES notation for 1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid?
The canonical SMILES for 1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid is CC1CC(C)(C)N(C)C(C)(C)C1.CCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid?
The InChIKey is HTNSLRYGJJQUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C11H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-9-7-10(2,3)12(6)11(4,5)8-9/h2-17H2,1H3,(H,19,20);9H,7-8H2,1-6H3.
What are the key properties of 1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid?
1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid has a molecular weight of 453.80 g/mol, XLogP of 9.24, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid is sourced from PubChem (CID 21292200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).