1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol

C12H23NO2 — CID 142104125

IUPAC1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol
SMILESC=C(C)C1(O)CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-9(2)12(14)7-10(3,4)13(15)11(5,6)8-12/h14-15H,1,7-8H2,2-6H3
InChIKeyVAFCBPXIYLQDHF-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.34
Rot. Bonds1

About 1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol

1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol (PubChem CID 142104125) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol
PubChem CID142104125
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol
SMILESC=C(C)C1(O)CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-9(2)12(14)7-10(3,4)13(15)11(5,6)8-12/h14-15H,1,7-8H2,2-6H3
InChIKeyVAFCBPXIYLQDHF-UHFFFAOYSA-N
XLogP2.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 23390382
CID 23390382
CID 12689468
CID 12689468
CID 59039632
CID 59039632
CID 59126126
CID 59126126
CID 59990243
CID 59990243
CID 141941073
CID 141941073

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol (CID 142104125) is 1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol is C=C(C)C1(O)CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol?
The InChIKey is VAFCBPXIYLQDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)12(14)7-10(3,4)13(15)11(5,6)8-12/h14-15H,1,7-8H2,2-6H3.
What are the key properties of 1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol?
1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol has a molecular weight of 213.32 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol is sourced from PubChem (CID 142104125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).