2,2,6,6-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine

C30H60N2 — CID 46232834

IUPAC2,2,6,6-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine
SMILESCC1(C)CCCC(C)(C)N1CCCCCCCCCCCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C30H60N2/c1-27(2)21-19-22-28(3,4)31(27)25-17-15-13-11-9-10-12-14-16-18-26-32-29(5,6)23-20-24-30(32,7)8/h9-26H2,1-8H3
InChIKeyCLRYXWWTYXEEBM-UHFFFAOYSA-N
MW448.82 g/mol
LogP8.97
Rot. Bonds13

About 2,2,6,6-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine

2,2,6,6-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine (PubChem CID 46232834) has the molecular formula C30H60N2 and a molecular weight of 448.82 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine
PubChem CID46232834
Molecular FormulaC30H60N2
Molecular Weight448.82 g/mol
Exact Mass448.48
IUPAC Name2,2,6,6-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine
SMILESCC1(C)CCCC(C)(C)N1CCCCCCCCCCCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C30H60N2/c1-27(2)21-19-22-28(3,4)31(27)25-17-15-13-11-9-10-12-14-16-18-26-32-29(5,6)23-20-24-30(32,7)8/h9-26H2,1-8H3
InChIKeyCLRYXWWTYXEEBM-UHFFFAOYSA-N
XLogP8.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.82
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine (CID 46232834) is 2,2,6,6-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine is CC1(C)CCCC(C)(C)N1CCCCCCCCCCCCN1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine?
The InChIKey is CLRYXWWTYXEEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N2/c1-27(2)21-19-22-28(3,4)31(27)25-17-15-13-11-9-10-12-14-16-18-26-32-29(5,6)23-20-24-30(32,7)8/h9-26H2,1-8H3.
What are the key properties of 2,2,6,6-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine?
2,2,6,6-tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine has a molecular weight of 448.82 g/mol, XLogP of 8.97, 13 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-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine is sourced from PubChem (CID 46232834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).