1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol

C17H33NO — CID 22323178

IUPAC1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC(C)(C)C/C=C/CN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C17H33NO/c1-15(2,3)10-8-9-11-18-16(4,5)12-14(19)13-17(18,6)7/h8-9,14,19H,10-13H2,1-7H3/b9-8+
InChIKeyQGMHWTYLWNSJKO-CMDGGOBGSA-N
MW267.46 g/mol
LogP3.99
Rot. Bonds3

About 1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol

1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 22323178) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID22323178
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC(C)(C)C/C=C/CN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C17H33NO/c1-15(2,3)10-8-9-11-18-16(4,5)12-14(19)13-17(18,6)7/h8-9,14,19H,10-13H2,1-7H3/b9-8+
InChIKeyQGMHWTYLWNSJKO-CMDGGOBGSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol (CID 22323178) is 1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol is CC(C)(C)C/C=C/CN1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is QGMHWTYLWNSJKO-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H33NO/c1-15(2,3)10-8-9-11-18-16(4,5)12-14(19)13-17(18,6)7/h8-9,14,19H,10-13H2,1-7H3/b9-8+.
What are the key properties of 1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol?
1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 267.46 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5,5-dimethylhex-2-enyl]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 22323178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).