octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate

C28H56N2O2 — CID 22766540

IUPACoctadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)C1(N)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H56N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32-25(31)28(29)23-26(2,3)30-27(4,5)24-28/h30H,6-24,29H2,1-5H3
InChIKeyGGRSAONOTXOQHU-UHFFFAOYSA-N
MW452.77 g/mol
LogP7.43
Rot. Bonds18

About octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate

octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 22766540) has the molecular formula C28H56N2O2 and a molecular weight of 452.77 g/mol. Its IUPAC name is octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameoctadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID22766540
Molecular FormulaC28H56N2O2
Molecular Weight452.77 g/mol
Exact Mass452.43
IUPAC Nameoctadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)C1(N)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H56N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32-25(31)28(29)23-26(2,3)30-27(4,5)24-28/h30H,6-24,29H2,1-5H3
InChIKeyGGRSAONOTXOQHU-UHFFFAOYSA-N
XLogP7.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.77
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 155387692
octyl 1-aminocyclohexane-1-carboxylate
CID 61303894
hexyl 1-aminocyclohexane-1-carboxylate
CID 61301911
heptyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 61302079
dioctyl 1,2-dimethylcyclohexane-1,2-dicarboxylate
CID 175527356
octadecyl 2-methyloxirane-2-carboxylate
CID 86241443
butyl 3-methylazetidine-3-carboxylate
CID 174909685
hexyl 4-methyldithiolane-4-carboxylate
CID 45111591
triheptacontyl hydrogen carbonate
CID 142754463
heptaheptacontyl hydrogen carbonate
CID 162768324
1-O-heptyl 1-O'-nonyl cyclohexane-1,1-dicarboxylate
CID 122459033
octyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451044

Frequently Asked Questions

What is the IUPAC name of octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 22766540) is octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate is CCCCCCCCCCCCCCCCCCOC(=O)C1(N)CC(C)(C)NC(C)(C)C1.
What is the InChIKey of octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is GGRSAONOTXOQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32-25(31)28(29)23-26(2,3)30-27(4,5)24-28/h30H,6-24,29H2,1-5H3.
What are the key properties of octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate?
octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 452.77 g/mol, XLogP of 7.43, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 22766540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).