4-decoxy-2,2,6,6-tetramethylpiperidine

C19H39NO — CID 141105994

IUPAC4-decoxy-2,2,6,6-tetramethylpiperidine
SMILESCCCCCCCCCCOC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H39NO/c1-6-7-8-9-10-11-12-13-14-21-17-15-18(2,3)20-19(4,5)16-17/h17,20H,6-16H2,1-5H3
InChIKeyBSIOEMSANKMMAD-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.45
Rot. Bonds10

About 4-decoxy-2,2,6,6-tetramethylpiperidine

4-decoxy-2,2,6,6-tetramethylpiperidine (PubChem CID 141105994) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 4-decoxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-decoxy-2,2,6,6-tetramethylpiperidine
PubChem CID141105994
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name4-decoxy-2,2,6,6-tetramethylpiperidine
SMILESCCCCCCCCCCOC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H39NO/c1-6-7-8-9-10-11-12-13-14-21-17-15-18(2,3)20-19(4,5)16-17/h17,20H,6-16H2,1-5H3
InChIKeyBSIOEMSANKMMAD-UHFFFAOYSA-N
XLogP5.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-decoxy-2,2,6,6-tetramethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol
CID 175888829
CID 90849890
CID 90849890
CID 22982953
CID 22982953
1,2,2,6,6-pentamethyl-4-octoxypiperidine
CID 155074808
dimethoxymethyl-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]silane
CID 71337880
1-butoxy-2,2,7,7-tetramethyl-4-[4-(2,2,7,7-tetramethylazepan-4-yl)oxybutoxy]azepane
CID 122414862
3-butoxy-1-methylcyclobutan-1-amine
CID 118087407
heptoxycyclopropane
CID 54099544
cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate
CID 70587590
3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
CID 67448789
2-methyl-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propan-2-amine
CID 135283539
2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate
CID 6365990

Frequently Asked Questions

What is the IUPAC name of 4-decoxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-decoxy-2,2,6,6-tetramethylpiperidine (CID 141105994) is 4-decoxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-decoxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-decoxy-2,2,6,6-tetramethylpiperidine is CCCCCCCCCCOC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-decoxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is BSIOEMSANKMMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-6-7-8-9-10-11-12-13-14-21-17-15-18(2,3)20-19(4,5)16-17/h17,20H,6-16H2,1-5H3.
What are the key properties of 4-decoxy-2,2,6,6-tetramethylpiperidine?
4-decoxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 297.53 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decoxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 141105994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).