4-butoxy-2,2,6,6-tetramethylpiperidine

C13H27NO — CID 21351935

IUPAC4-butoxy-2,2,6,6-tetramethylpiperidine
SMILESCCCCOC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H27NO/c1-6-7-8-15-11-9-12(2,3)14-13(4,5)10-11/h11,14H,6-10H2,1-5H3
InChIKeyHVZQOGWWUPCQPC-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds4

About 4-butoxy-2,2,6,6-tetramethylpiperidine

4-butoxy-2,2,6,6-tetramethylpiperidine (PubChem CID 21351935) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-butoxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-butoxy-2,2,6,6-tetramethylpiperidine
PubChem CID21351935
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-butoxy-2,2,6,6-tetramethylpiperidine
SMILESCCCCOC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H27NO/c1-6-7-8-15-11-9-12(2,3)14-13(4,5)10-11/h11,14H,6-10H2,1-5H3
InChIKeyHVZQOGWWUPCQPC-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
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 4-butoxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-butoxy-2,2,6,6-tetramethylpiperidine (CID 21351935) is 4-butoxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-butoxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-butoxy-2,2,6,6-tetramethylpiperidine is CCCCOC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-butoxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is HVZQOGWWUPCQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-7-8-15-11-9-12(2,3)14-13(4,5)10-11/h11,14H,6-10H2,1-5H3.
What are the key properties of 4-butoxy-2,2,6,6-tetramethylpiperidine?
4-butoxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 21351935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).