1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol

C15H29NO2 — CID 11149568

IUPAC1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILES[2H]/C(=C\C)C([2H])(CC)ON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C15H29NO2/c1-7-9-13(8-2)18-16-14(3,4)10-12(17)11-15(16,5)6/h7,9,12-13,17H,8,10-11H2,1-6H3/b9-7+/i9D,13D
InChIKeyYCHZSGXFSLLLLN-ITERDMCMSA-N
MW257.41 g/mol
LogP3.29
Rot. Bonds4

About 1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol

1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 11149568) has the molecular formula C15H29NO2 and a molecular weight of 257.41 g/mol. Its IUPAC name is 1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID11149568
Molecular FormulaC15H29NO2
Molecular Weight257.41 g/mol
Exact Mass257.23
IUPAC Name1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILES[2H]/C(=C\C)C([2H])(CC)ON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C15H29NO2/c1-7-9-13(8-2)18-16-14(3,4)10-12(17)11-15(16,5)6/h7,9,12-13,17H,8,10-11H2,1-6H3/b9-7+/i9D,13D
InChIKeyYCHZSGXFSLLLLN-ITERDMCMSA-N
XLogP3.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol (CID 11149568) is 1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol is [2H]/C(=C\C)C([2H])(CC)ON1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is YCHZSGXFSLLLLN-ITERDMCMSA-N. The full InChI is InChI=1S/C15H29NO2/c1-7-9-13(8-2)18-16-14(3,4)10-12(17)11-15(16,5)6/h7,9,12-13,17H,8,10-11H2,1-6H3/b9-7+/i9D,13D.
What are the key properties of 1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol?
1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 257.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,4-dideuteriohex-4-en-3-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 11149568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).