2,2,6,6-tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine

C29H58N2 — CID 46232798

IUPAC2,2,6,6-tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine
SMILESCC1(C)CCCC(C)(C)N1CCCCCCCCCCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C29H58N2/c1-26(2)20-18-21-27(3,4)30(26)24-16-14-12-10-9-11-13-15-17-25-31-28(5,6)22-19-23-29(31,7)8/h9-25H2,1-8H3
InChIKeyDNGGFEDTBKBJOV-UHFFFAOYSA-N
MW434.80 g/mol
LogP8.58
Rot. Bonds12

About 2,2,6,6-tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine

2,2,6,6-tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine (PubChem CID 46232798) has the molecular formula C29H58N2 and a molecular weight of 434.80 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine
PubChem CID46232798
Molecular FormulaC29H58N2
Molecular Weight434.80 g/mol
Exact Mass434.46
IUPAC Name2,2,6,6-tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine
SMILESCC1(C)CCCC(C)(C)N1CCCCCCCCCCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C29H58N2/c1-26(2)20-18-21-27(3,4)30(26)24-16-14-12-10-9-11-13-15-17-25-31-28(5,6)22-19-23-29(31,7)8/h9-25H2,1-8H3
InChIKeyDNGGFEDTBKBJOV-UHFFFAOYSA-N
XLogP8.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.80
LogP ≤ 58.58
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-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine (CID 46232798) is 2,2,6,6-tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine is CC1(C)CCCC(C)(C)N1CCCCCCCCCCCN1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine?
The InChIKey is DNGGFEDTBKBJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N2/c1-26(2)20-18-21-27(3,4)30(26)24-16-14-12-10-9-11-13-15-17-25-31-28(5,6)22-19-23-29(31,7)8/h9-25H2,1-8H3.
What are the key properties of 2,2,6,6-tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine?
2,2,6,6-tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine has a molecular weight of 434.80 g/mol, XLogP of 8.58, 12 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-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine is sourced from PubChem (CID 46232798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).