1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol

C20H39NO — CID 70252223

IUPAC1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol
SMILESC=CCCCCCC(O)CCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C20H39NO/c1-6-7-8-9-10-13-18(22)14-11-17-21-19(2,3)15-12-16-20(21,4)5/h6,18,22H,1,7-17H2,2-5H3
InChIKeyNGMRYKCEADRUDL-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.31
Rot. Bonds10

About 1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol

1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol (PubChem CID 70252223) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol.

Molecular Properties

Compound Name1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol
PubChem CID70252223
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol
SMILESC=CCCCCCC(O)CCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C20H39NO/c1-6-7-8-9-10-13-18(22)14-11-17-21-19(2,3)15-12-16-20(21,4)5/h6,18,22H,1,7-17H2,2-5H3
InChIKeyNGMRYKCEADRUDL-UHFFFAOYSA-N
XLogP5.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol?
The IUPAC name of 1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol (CID 70252223) is 1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol.
What is the SMILES notation for 1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol?
The canonical SMILES for 1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol is C=CCCCCCC(O)CCCN1C(C)(C)CCCC1(C)C.
What is the InChIKey of 1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol?
The InChIKey is NGMRYKCEADRUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-6-7-8-9-10-13-18(22)14-11-17-21-19(2,3)15-12-16-20(21,4)5/h6,18,22H,1,7-17H2,2-5H3.
What are the key properties of 1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol?
1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol has a molecular weight of 309.54 g/mol, XLogP of 5.31, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,6,6-tetramethylpiperidin-1-yl)undec-10-en-4-ol is sourced from PubChem (CID 70252223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).