1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-enoxypiperidine

C12H23NO2 — CID 57120762

IUPAC1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-enoxypiperidine
SMILESC=CCOC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h6,10,14H,1,7-9H2,2-5H3
InChIKeyQCHAERGCGRTMPY-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.60
Rot. Bonds3

About 1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-enoxypiperidine

1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-enoxypiperidine (PubChem CID 57120762) 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-2-enoxypiperidine.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-enoxypiperidine
PubChem CID57120762
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-enoxypiperidine
SMILESC=CCOC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h6,10,14H,1,7-9H2,2-5H3
InChIKeyQCHAERGCGRTMPY-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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 1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-enoxypiperidine?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-enoxypiperidine (CID 57120762) is 1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-enoxypiperidine.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-enoxypiperidine?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-enoxypiperidine is C=CCOC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-enoxypiperidine?
The InChIKey is QCHAERGCGRTMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h6,10,14H,1,7-9H2,2-5H3.
What are the key properties of 1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-enoxypiperidine?
1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-enoxypiperidine has a molecular weight of 213.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 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-2-enoxypiperidine is sourced from PubChem (CID 57120762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).