1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol

C11H21NO — CID 79189783

IUPAC1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol
SMILESCCN1CCC(O)(C=C(C)C)CC1
InChIInChI=1S/C11H21NO/c1-4-12-7-5-11(13,6-8-12)9-10(2)3/h9,13H,4-8H2,1-3H3
InChIKeyYWGCOJAPAADZOX-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds2

About 1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol

1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol (PubChem CID 79189783) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol
PubChem CID79189783
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol
SMILESCCN1CCC(O)(C=C(C)C)CC1
InChIInChI=1S/C11H21NO/c1-4-12-7-5-11(13,6-8-12)9-10(2)3/h9,13H,4-8H2,1-3H3
InChIKeyYWGCOJAPAADZOX-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-(2-methylprop-1-enyl)piperidin-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 1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol?
The IUPAC name of 1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol (CID 79189783) is 1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol.
What is the SMILES notation for 1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol?
The canonical SMILES for 1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol is CCN1CCC(O)(C=C(C)C)CC1.
What is the InChIKey of 1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol?
The InChIKey is YWGCOJAPAADZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-12-7-5-11(13,6-8-12)9-10(2)3/h9,13H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol?
1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol has a molecular weight of 183.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol is sourced from PubChem (CID 79189783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).