2-ethoxy-1-piperidin-1-ylpropan-1-imine

C10H20N2O — CID 64532831

IUPAC2-ethoxy-1-piperidin-1-ylpropan-1-imine
SMILES[H]/N=C(\C(C)OCC)N1CCCCC1
InChIInChI=1S/C10H20N2O/c1-3-13-9(2)10(11)12-7-5-4-6-8-12/h9,11H,3-8H2,1-2H3/b11-10+
InChIKeyDFWMIIZMHXWLLV-ZHACJKMWSA-N
MW184.28 g/mol
LogP1.87
Rot. Bonds3

About 2-ethoxy-1-piperidin-1-ylpropan-1-imine

2-ethoxy-1-piperidin-1-ylpropan-1-imine (PubChem CID 64532831) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethoxy-1-piperidin-1-ylpropan-1-imine.

Molecular Properties

Compound Name2-ethoxy-1-piperidin-1-ylpropan-1-imine
PubChem CID64532831
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-ethoxy-1-piperidin-1-ylpropan-1-imine
SMILES[H]/N=C(\C(C)OCC)N1CCCCC1
InChIInChI=1S/C10H20N2O/c1-3-13-9(2)10(11)12-7-5-4-6-8-12/h9,11H,3-8H2,1-2H3/b11-10+
InChIKeyDFWMIIZMHXWLLV-ZHACJKMWSA-N
XLogP1.87
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-ethoxy-1-piperidin-1-ylpropan-1-imine 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 2-ethoxy-1-piperidin-1-ylpropan-1-imine?
The IUPAC name of 2-ethoxy-1-piperidin-1-ylpropan-1-imine (CID 64532831) is 2-ethoxy-1-piperidin-1-ylpropan-1-imine.
What is the SMILES notation for 2-ethoxy-1-piperidin-1-ylpropan-1-imine?
The canonical SMILES for 2-ethoxy-1-piperidin-1-ylpropan-1-imine is [H]/N=C(\C(C)OCC)N1CCCCC1.
What is the InChIKey of 2-ethoxy-1-piperidin-1-ylpropan-1-imine?
The InChIKey is DFWMIIZMHXWLLV-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-13-9(2)10(11)12-7-5-4-6-8-12/h9,11H,3-8H2,1-2H3/b11-10+.
What are the key properties of 2-ethoxy-1-piperidin-1-ylpropan-1-imine?
2-ethoxy-1-piperidin-1-ylpropan-1-imine has a molecular weight of 184.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-piperidin-1-ylpropan-1-imine is sourced from PubChem (CID 64532831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).