2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol

C20H39NO — CID 54476832

IUPAC2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol
SMILESC=CCCCCCCCCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C20H39NO/c1-6-7-8-9-10-11-12-13-14-15-21-19(2,3)16-18(22)17-20(21,4)5/h6,18,22H,1,7-17H2,2-5H3
InChIKeyXMEHTGOPVNPKIM-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.31
Rot. Bonds10

About 2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol

2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol (PubChem CID 54476832) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol
PubChem CID54476832
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol
SMILESC=CCCCCCCCCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C20H39NO/c1-6-7-8-9-10-11-12-13-14-15-21-19(2,3)16-18(22)17-20(21,4)5/h6,18,22H,1,7-17H2,2-5H3
InChIKeyXMEHTGOPVNPKIM-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 2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol?
The IUPAC name of 2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol (CID 54476832) is 2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol?
The canonical SMILES for 2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol is C=CCCCCCCCCCN1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol?
The InChIKey is XMEHTGOPVNPKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-6-7-8-9-10-11-12-13-14-15-21-19(2,3)16-18(22)17-20(21,4)5/h6,18,22H,1,7-17H2,2-5H3.
What are the key properties of 2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol?
2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-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 2,2,6,6-tetramethyl-1-undec-10-enylpiperidin-4-ol is sourced from PubChem (CID 54476832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).