2,2,6,6-tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine

C27H54N2 — CID 46232796

IUPAC2,2,6,6-tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine
SMILESCC1(C)CCCC(C)(C)N1CCCCCCCCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C27H54N2/c1-24(2)18-16-19-25(3,4)28(24)22-14-12-10-9-11-13-15-23-29-26(5,6)20-17-21-27(29,7)8/h9-23H2,1-8H3
InChIKeyBABKMDZJEDULJD-UHFFFAOYSA-N
MW406.74 g/mol
LogP7.80
Rot. Bonds10

About 2,2,6,6-tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine

2,2,6,6-tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine (PubChem CID 46232796) has the molecular formula C27H54N2 and a molecular weight of 406.74 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine
PubChem CID46232796
Molecular FormulaC27H54N2
Molecular Weight406.74 g/mol
Exact Mass406.43
IUPAC Name2,2,6,6-tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine
SMILESCC1(C)CCCC(C)(C)N1CCCCCCCCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C27H54N2/c1-24(2)18-16-19-25(3,4)28(24)22-14-12-10-9-11-13-15-23-29-26(5,6)20-17-21-27(29,7)8/h9-23H2,1-8H3
InChIKeyBABKMDZJEDULJD-UHFFFAOYSA-N
XLogP7.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.74
LogP ≤ 57.80
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-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine (CID 46232796) is 2,2,6,6-tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine is CC1(C)CCCC(C)(C)N1CCCCCCCCCN1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine?
The InChIKey is BABKMDZJEDULJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2/c1-24(2)18-16-19-25(3,4)28(24)22-14-12-10-9-11-13-15-23-29-26(5,6)20-17-21-27(29,7)8/h9-23H2,1-8H3.
What are the key properties of 2,2,6,6-tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine?
2,2,6,6-tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine has a molecular weight of 406.74 g/mol, XLogP of 7.80, 10 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-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine is sourced from PubChem (CID 46232796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).