3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol

C11H19NO — CID 597068

IUPAC3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol
SMILESC#CC(C)(C)N1CCC(O)C(C)C1
InChIInChI=1S/C11H19NO/c1-5-11(3,4)12-7-6-10(13)9(2)8-12/h1,9-10,13H,6-8H2,2-4H3
InChIKeyNRUDMNCWYTZHLH-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.10
Rot. Bonds1

About 3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol

3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol (PubChem CID 597068) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol
PubChem CID597068
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol
SMILESC#CC(C)(C)N1CCC(O)C(C)C1
InChIInChI=1S/C11H19NO/c1-5-11(3,4)12-7-6-10(13)9(2)8-12/h1,9-10,13H,6-8H2,2-4H3
InChIKeyNRUDMNCWYTZHLH-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.10
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 3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol?
The IUPAC name of 3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol (CID 597068) is 3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol?
The canonical SMILES for 3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol is C#CC(C)(C)N1CCC(O)C(C)C1.
What is the InChIKey of 3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol?
The InChIKey is NRUDMNCWYTZHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-11(3,4)12-7-6-10(13)9(2)8-12/h1,9-10,13H,6-8H2,2-4H3.
What are the key properties of 3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol?
3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol has a molecular weight of 181.28 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-4-ol is sourced from PubChem (CID 597068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).