1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid

C19H28ClNO5 — CID 24761417

IUPAC1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid
SMILESCCC1CCCCN1CCCCOc1cccc(Cl)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H26ClNO.C2H2O4/c1-2-16-9-3-4-11-19(16)12-5-6-13-20-17-10-7-8-15(18)14-17;3-1(4)2(5)6/h7-8,10,14,16H,2-6,9,11-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyGMXCFZUOWJNKQK-UHFFFAOYSA-N
MW385.89 g/mol
LogP3.92
Rot. Bonds7

About 1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid

1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid (PubChem CID 24761417) has the molecular formula C19H28ClNO5 and a molecular weight of 385.89 g/mol. Its IUPAC name is 1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid.

Molecular Properties

Compound Name1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid
PubChem CID24761417
Molecular FormulaC19H28ClNO5
Molecular Weight385.89 g/mol
Exact Mass385.17
IUPAC Name1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid
SMILESCCC1CCCCN1CCCCOc1cccc(Cl)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H26ClNO.C2H2O4/c1-2-16-9-3-4-11-19(16)12-5-6-13-20-17-10-7-8-15(18)14-17;3-1(4)2(5)6/h7-8,10,14,16H,2-6,9,11-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyGMXCFZUOWJNKQK-UHFFFAOYSA-N
XLogP3.92
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid 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-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid?
The IUPAC name of 1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid (CID 24761417) is 1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid.
What is the SMILES notation for 1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid?
The canonical SMILES for 1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid is CCC1CCCCN1CCCCOc1cccc(Cl)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid?
The InChIKey is GMXCFZUOWJNKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO.C2H2O4/c1-2-16-9-3-4-11-19(16)12-5-6-13-20-17-10-7-8-15(18)14-17;3-1(4)2(5)6/h7-8,10,14,16H,2-6,9,11-13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid?
1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid has a molecular weight of 385.89 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenoxy)butyl]-2-ethylpiperidine;oxalic acid is sourced from PubChem (CID 24761417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).