1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine

C14H25NO2 — CID 170720844

IUPAC1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine
SMILESC=C(C)C(=C)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C14H25NO2/c1-10(2)11(3)17-12-8-13(4,5)15(16)14(6,7)9-12/h12,16H,1,3,8-9H2,2,4-7H3
InChIKeyOBBXBEJBAPWZCS-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.50
Rot. Bonds3

About 1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine

1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine (PubChem CID 170720844) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine
PubChem CID170720844
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine
SMILESC=C(C)C(=C)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C14H25NO2/c1-10(2)11(3)17-12-8-13(4,5)15(16)14(6,7)9-12/h12,16H,1,3,8-9H2,2,4-7H3
InChIKeyOBBXBEJBAPWZCS-UHFFFAOYSA-N
XLogP3.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine (CID 170720844) is 1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine is C=C(C)C(=C)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine?
The InChIKey is OBBXBEJBAPWZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(2)11(3)17-12-8-13(4,5)15(16)14(6,7)9-12/h12,16H,1,3,8-9H2,2,4-7H3.
What are the key properties of 1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine?
1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine has a molecular weight of 239.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine is sourced from PubChem (CID 170720844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).