2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol

C12H23NO — CID 4912824

IUPAC2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(O)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-6-7-12(14)8-10(2,3)13-11(4,5)9-12/h6,13-14H,1,7-9H2,2-5H3
InChIKeyMNDRQDWLHSOHFW-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.23
Rot. Bonds2

About 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol

2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol (PubChem CID 4912824) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol
PubChem CID4912824
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(O)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-6-7-12(14)8-10(2,3)13-11(4,5)9-12/h6,13-14H,1,7-9H2,2-5H3
InChIKeyMNDRQDWLHSOHFW-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
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 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol?
The IUPAC name of 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol (CID 4912824) is 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol?
The canonical SMILES for 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol is C=CCC1(O)CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol?
The InChIKey is MNDRQDWLHSOHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-7-12(14)8-10(2,3)13-11(4,5)9-12/h6,13-14H,1,7-9H2,2-5H3.
What are the key properties of 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol?
2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 4912824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).