4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine

C13H26ClNO2 — CID 123619218

IUPAC4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(OCCCCCl)CC(C)(C)N1O
InChIInChI=1S/C13H26ClNO2/c1-12(2)9-11(17-8-6-5-7-14)10-13(3,4)15(12)16/h11,16H,5-10H2,1-4H3
InChIKeyAFHALFWSGCPEOA-UHFFFAOYSA-N
MW263.81 g/mol
LogP3.43
Rot. Bonds5

About 4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 123619218) has the molecular formula C13H26ClNO2 and a molecular weight of 263.81 g/mol. Its IUPAC name is 4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID123619218
Molecular FormulaC13H26ClNO2
Molecular Weight263.81 g/mol
Exact Mass263.17
IUPAC Name4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(OCCCCCl)CC(C)(C)N1O
InChIInChI=1S/C13H26ClNO2/c1-12(2)9-11(17-8-6-5-7-14)10-13(3,4)15(12)16/h11,16H,5-10H2,1-4H3
InChIKeyAFHALFWSGCPEOA-UHFFFAOYSA-N
XLogP3.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 123619218) is 4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine is CC1(C)CC(OCCCCCl)CC(C)(C)N1O.
What is the InChIKey of 4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is AFHALFWSGCPEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO2/c1-12(2)9-11(17-8-6-5-7-14)10-13(3,4)15(12)16/h11,16H,5-10H2,1-4H3.
What are the key properties of 4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 263.81 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 123619218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).