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

C12H21NO2 — CID 91253406

IUPAC1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine
SMILESC#CCOC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C12H21NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h1,10,14H,7-9H2,2-5H3
InChIKeyIBRDBKYDCVMOPH-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.05
Rot. Bonds2

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

1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine (PubChem CID 91253406) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine
PubChem CID91253406
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine
SMILESC#CCOC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C12H21NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h1,10,14H,7-9H2,2-5H3
InChIKeyIBRDBKYDCVMOPH-UHFFFAOYSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', '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-ynoxypiperidine?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine (CID 91253406) is 1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine 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-ynoxypiperidine?
The InChIKey is IBRDBKYDCVMOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h1,10,14H,7-9H2,2-5H3.
What are the key properties of 1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine?
1-hydroxy-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine has a molecular weight of 211.30 g/mol, XLogP of 2.05, 2 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-ynoxypiperidine is sourced from PubChem (CID 91253406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).