1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine

C30H60N2 — CID 22754581

IUPAC1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine
SMILESCCC1(C)CCC(C)C(C)(CC)N1CCCCCCN1C(C)(CC)CCC(C)C1(C)CC
InChIInChI=1S/C30H60N2/c1-11-27(7)21-19-25(5)29(9,13-3)31(27)23-17-15-16-18-24-32-28(8,12-2)22-20-26(6)30(32,10)14-4/h25-26H,11-24H2,1-10H3
InChIKeyVUIJOEOPGCCESP-UHFFFAOYSA-N
MW448.82 g/mol
LogP8.69
Rot. Bonds11

About 1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine

1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine (PubChem CID 22754581) has the molecular formula C30H60N2 and a molecular weight of 448.82 g/mol. Its IUPAC name is 1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine.

Molecular Properties

Compound Name1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine
PubChem CID22754581
Molecular FormulaC30H60N2
Molecular Weight448.82 g/mol
Exact Mass448.48
IUPAC Name1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine
SMILESCCC1(C)CCC(C)C(C)(CC)N1CCCCCCN1C(C)(CC)CCC(C)C1(C)CC
InChIInChI=1S/C30H60N2/c1-11-27(7)21-19-25(5)29(9,13-3)31(27)23-17-15-16-18-24-32-28(8,12-2)22-20-26(6)30(32,10)14-4/h25-26H,11-24H2,1-10H3
InChIKeyVUIJOEOPGCCESP-UHFFFAOYSA-N
XLogP8.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.82
LogP ≤ 58.69
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 1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine?
The IUPAC name of 1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine (CID 22754581) is 1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine.
What is the SMILES notation for 1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine?
The canonical SMILES for 1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine is CCC1(C)CCC(C)C(C)(CC)N1CCCCCCN1C(C)(CC)CCC(C)C1(C)CC.
What is the InChIKey of 1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine?
The InChIKey is VUIJOEOPGCCESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N2/c1-11-27(7)21-19-25(5)29(9,13-3)31(27)23-17-15-16-18-24-32-28(8,12-2)22-20-26(6)30(32,10)14-4/h25-26H,11-24H2,1-10H3.
What are the key properties of 1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine?
1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine has a molecular weight of 448.82 g/mol, XLogP of 8.69, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)hexyl]-2,6-diethyl-2,3,6-trimethylpiperidine is sourced from PubChem (CID 22754581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).