2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine

C54H106N2 — CID 21401017

IUPAC2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine
SMILESCCCCCCCCCCCCCCCCCCN1C(C)(C)CC(=C2CC(C)(C)N(CCCCCCCCCCCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C54H106N2/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-55-51(3,4)45-49(46-52(55,5)6)50-47-53(7,8)56(54(9,10)48-50)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h11-48H2,1-10H3
InChIKeyVKBOYPFYECHAPK-UHFFFAOYSA-N
MW783.46 g/mol
LogP18.11
Rot. Bonds34

About 2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine

2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine (PubChem CID 21401017) has the molecular formula C54H106N2 and a molecular weight of 783.46 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine
PubChem CID21401017
Molecular FormulaC54H106N2
Molecular Weight783.46 g/mol
Exact Mass782.84
IUPAC Name2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine
SMILESCCCCCCCCCCCCCCCCCCN1C(C)(C)CC(=C2CC(C)(C)N(CCCCCCCCCCCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C54H106N2/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-55-51(3,4)45-49(46-52(55,5)6)50-47-53(7,8)56(54(9,10)48-50)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h11-48H2,1-10H3
InChIKeyVKBOYPFYECHAPK-UHFFFAOYSA-N
XLogP18.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.46
LogP ≤ 518.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine (CID 21401017) is 2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine is CCCCCCCCCCCCCCCCCCN1C(C)(C)CC(=C2CC(C)(C)N(CCCCCCCCCCCCCCCCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine?
The InChIKey is VKBOYPFYECHAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H106N2/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-55-51(3,4)45-49(46-52(55,5)6)50-47-53(7,8)56(54(9,10)48-50)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h11-48H2,1-10H3.
What are the key properties of 2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine?
2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine has a molecular weight of 783.46 g/mol, XLogP of 18.11, 34 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine is sourced from PubChem (CID 21401017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).