2,2,6,6-tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine

C31H62N2 — CID 46232835

IUPAC2,2,6,6-tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine
SMILESCC1(C)CCCC(C)(C)N1CCCCCCCCCCCCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C31H62N2/c1-28(2)22-20-23-29(3,4)32(28)26-18-16-14-12-10-9-11-13-15-17-19-27-33-30(5,6)24-21-25-31(33,7)8/h9-27H2,1-8H3
InChIKeyBLHATYWRJQSZCG-UHFFFAOYSA-N
MW462.85 g/mol
LogP9.36
Rot. Bonds14

About 2,2,6,6-tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine

2,2,6,6-tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine (PubChem CID 46232835) has the molecular formula C31H62N2 and a molecular weight of 462.85 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine
PubChem CID46232835
Molecular FormulaC31H62N2
Molecular Weight462.85 g/mol
Exact Mass462.49
IUPAC Name2,2,6,6-tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine
SMILESCC1(C)CCCC(C)(C)N1CCCCCCCCCCCCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C31H62N2/c1-28(2)22-20-23-29(3,4)32(28)26-18-16-14-12-10-9-11-13-15-17-19-27-33-30(5,6)24-21-25-31(33,7)8/h9-27H2,1-8H3
InChIKeyBLHATYWRJQSZCG-UHFFFAOYSA-N
XLogP9.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.85
LogP ≤ 59.36
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-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine (CID 46232835) is 2,2,6,6-tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine is CC1(C)CCCC(C)(C)N1CCCCCCCCCCCCCN1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine?
The InChIKey is BLHATYWRJQSZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62N2/c1-28(2)22-20-23-29(3,4)32(28)26-18-16-14-12-10-9-11-13-15-17-19-27-33-30(5,6)24-21-25-31(33,7)8/h9-27H2,1-8H3.
What are the key properties of 2,2,6,6-tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine?
2,2,6,6-tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine has a molecular weight of 462.85 g/mol, XLogP of 9.36, 14 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-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine is sourced from PubChem (CID 46232835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).