4-ethynyl-1-methylpiperidin-4-ol

C8H13NO — CID 1419099

IUPAC4-ethynyl-1-methylpiperidin-4-ol
SMILESC#CC1(O)CCN(C)CC1
InChIInChI=1S/C8H13NO/c1-3-8(10)4-6-9(2)7-5-8/h1,10H,4-7H2,2H3
InChIKeyDACKYLWJNMGQNC-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.08
Rot. Bonds

About 4-ethynyl-1-methylpiperidin-4-ol

4-ethynyl-1-methylpiperidin-4-ol (PubChem CID 1419099) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-ethynyl-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-ethynyl-1-methylpiperidin-4-ol
PubChem CID1419099
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-ethynyl-1-methylpiperidin-4-ol
SMILESC#CC1(O)CCN(C)CC1
InChIInChI=1S/C8H13NO/c1-3-8(10)4-6-9(2)7-5-8/h1,10H,4-7H2,2H3
InChIKeyDACKYLWJNMGQNC-UHFFFAOYSA-N
XLogP0.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethynyl-1-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-methylpiperidin-4-ol?
The IUPAC name of 4-ethynyl-1-methylpiperidin-4-ol (CID 1419099) is 4-ethynyl-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-ethynyl-1-methylpiperidin-4-ol?
The canonical SMILES for 4-ethynyl-1-methylpiperidin-4-ol is C#CC1(O)CCN(C)CC1.
What is the InChIKey of 4-ethynyl-1-methylpiperidin-4-ol?
The InChIKey is DACKYLWJNMGQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-8(10)4-6-9(2)7-5-8/h1,10H,4-7H2,2H3.
What are the key properties of 4-ethynyl-1-methylpiperidin-4-ol?
4-ethynyl-1-methylpiperidin-4-ol has a molecular weight of 139.20 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-methylpiperidin-4-ol is sourced from PubChem (CID 1419099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).