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

C12H21NO — CID 102410321

IUPAC2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine
SMILESC#CCOC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H21NO/c1-6-7-14-10-8-11(2,3)13-12(4,5)9-10/h1,10,13H,7-9H2,2-5H3
InChIKeyVRYFXZCVLHIZSK-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.95
Rot. Bonds2

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

2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine (PubChem CID 102410321) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine
PubChem CID102410321
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine
SMILESC#CCOC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H21NO/c1-6-7-14-10-8-11(2,3)13-12(4,5)9-10/h1,10,13H,7-9H2,2-5H3
InChIKeyVRYFXZCVLHIZSK-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine (CID 102410321) is 2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine is C#CCOC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine?
The InChIKey is VRYFXZCVLHIZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-7-14-10-8-11(2,3)13-12(4,5)9-10/h1,10,13H,7-9H2,2-5H3.
What are the key properties of 2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine?
2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine has a molecular weight of 195.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine is sourced from PubChem (CID 102410321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).