2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-ol

C12H23NO — CID 21330390

IUPAC2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-ol
SMILESC=CCC1C(O)CC(C)(C)NC1(C)C
InChIInChI=1S/C12H23NO/c1-6-7-9-10(14)8-11(2,3)13-12(9,4)5/h6,9-10,13-14H,1,7-8H2,2-5H3
InChIKeyFESCMQHELVFZAT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds2

About 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-ol

2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-ol (PubChem CID 21330390) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-ol
PubChem CID21330390
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-ol
SMILESC=CCC1C(O)CC(C)(C)NC1(C)C
InChIInChI=1S/C12H23NO/c1-6-7-9-10(14)8-11(2,3)13-12(9,4)5/h6,9-10,13-14H,1,7-8H2,2-5H3
InChIKeyFESCMQHELVFZAT-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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-3-prop-2-enylpiperidin-4-ol?
The IUPAC name of 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-ol (CID 21330390) is 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-ol?
The canonical SMILES for 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-ol is C=CCC1C(O)CC(C)(C)NC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-ol?
The InChIKey is FESCMQHELVFZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-7-9-10(14)8-11(2,3)13-12(9,4)5/h6,9-10,13-14H,1,7-8H2,2-5H3.
What are the key properties of 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-ol?
2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 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-3-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 21330390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).