4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol

C14H27NO — CID 11138813

IUPAC4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol
SMILESC=CCCC1(O)CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H27NO/c1-7-8-9-14(16)10-12(2,3)15(6)13(4,5)11-14/h7,16H,1,8-11H2,2-6H3
InChIKeySAXPOUJTSOMGMM-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds3

About 4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol

4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol (PubChem CID 11138813) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol.

Molecular Properties

Compound Name4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol
PubChem CID11138813
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol
SMILESC=CCCC1(O)CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H27NO/c1-7-8-9-14(16)10-12(2,3)15(6)13(4,5)11-14/h7,16H,1,8-11H2,2-6H3
InChIKeySAXPOUJTSOMGMM-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
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 4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol?
The IUPAC name of 4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol (CID 11138813) is 4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol.
What is the SMILES notation for 4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol?
The canonical SMILES for 4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol is C=CCCC1(O)CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol?
The InChIKey is SAXPOUJTSOMGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-8-9-14(16)10-12(2,3)15(6)13(4,5)11-14/h7,16H,1,8-11H2,2-6H3.
What are the key properties of 4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol?
4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol has a molecular weight of 225.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol is sourced from PubChem (CID 11138813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).