2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol

C12H23NO2 — CID 22094181

IUPAC2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol
SMILESC=CCON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C12H23NO2/c1-6-7-15-13-11(2,3)8-10(14)9-12(13,4)5/h6,10,14H,1,7-9H2,2-5H3
InChIKeyYUJWYSNPVXYEII-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.12
Rot. Bonds3

About 2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol

2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol (PubChem CID 22094181) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol
PubChem CID22094181
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol
SMILESC=CCON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C12H23NO2/c1-6-7-15-13-11(2,3)8-10(14)9-12(13,4)5/h6,10,14H,1,7-9H2,2-5H3
InChIKeyYUJWYSNPVXYEII-UHFFFAOYSA-N
XLogP2.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-1-prop-2-enoxypiperidin-4-ol?
The IUPAC name of 2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol (CID 22094181) is 2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol?
The canonical SMILES for 2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol is C=CCON1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol?
The InChIKey is YUJWYSNPVXYEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-7-15-13-11(2,3)8-10(14)9-12(13,4)5/h6,10,14H,1,7-9H2,2-5H3.
What are the key properties of 2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol?
2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol has a molecular weight of 213.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol is sourced from PubChem (CID 22094181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).