1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid

C17H23Cl2NO5 — CID 2865344

IUPAC1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid
SMILESClc1cccc(Cl)c1OCCCCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C15H21Cl2NO.C2H2O4/c16-13-7-6-8-14(17)15(13)19-12-5-4-11-18-9-2-1-3-10-18;3-1(4)2(5)6/h6-8H,1-5,9-12H2;(H,3,4)(H,5,6)
InChIKeyOGYAKXVPMZOJFQ-UHFFFAOYSA-N
MW392.28 g/mol
LogP3.79
Rot. Bonds6

About 1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid

1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid (PubChem CID 2865344) has the molecular formula C17H23Cl2NO5 and a molecular weight of 392.28 g/mol. Its IUPAC name is 1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid.

Molecular Properties

Compound Name1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid
PubChem CID2865344
Molecular FormulaC17H23Cl2NO5
Molecular Weight392.28 g/mol
Exact Mass391.10
IUPAC Name1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid
SMILESClc1cccc(Cl)c1OCCCCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C15H21Cl2NO.C2H2O4/c16-13-7-6-8-14(17)15(13)19-12-5-4-11-18-9-2-1-3-10-18;3-1(4)2(5)6/h6-8H,1-5,9-12H2;(H,3,4)(H,5,6)
InChIKeyOGYAKXVPMZOJFQ-UHFFFAOYSA-N
XLogP3.79
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 53.79
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-(2,6-dichlorophenoxy)butyl]piperidine;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

Related Compounds

2,4-D-tris(2-hydroxypropyl)ammonium
CID 62724
1-(Piperidin-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 2914648
1-[4-(2-Chlorophenoxy)butyl]piperidine
CID 2057799
1-[4-(2-Chlorophenoxy)butyl]piperazine oxalate
CID 2924265
1-[4-(4-Chlorophenoxy)butyl]piperidine;oxalic acid
CID 24761474
N-[2-[3,5-dichloro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986855
2,4-D triethylammonium salt
CID 62454
4-[2-(3-Chlorophenoxy)ethyl]morpholine ethanedioate
CID 644755
1-[2-(2,4-Dichlorophenoxy)ethyl]piperidine oxalate
CID 2847926
1-[2-(2,4-Dichlorophenoxy)ethyl]-3,5-dimethylpiperidine oxalate
CID 2934364
1-[2-(2,3-Dichlorophenoxy)ethyl]-3,5-dimethylpiperidine oxalate
CID 2934437
4-[2-(2,4-Dichlorophenoxy)ethyl]-2,6-dimethylmorpholine oxalate
CID 2934808

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid?
The IUPAC name of 1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid (CID 2865344) is 1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid.
What is the SMILES notation for 1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid?
The canonical SMILES for 1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid is Clc1cccc(Cl)c1OCCCCN1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid?
The InChIKey is OGYAKXVPMZOJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO.C2H2O4/c16-13-7-6-8-14(17)15(13)19-12-5-4-11-18-9-2-1-3-10-18;3-1(4)2(5)6/h6-8H,1-5,9-12H2;(H,3,4)(H,5,6).
What are the key properties of 1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid?
1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid has a molecular weight of 392.28 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dichlorophenoxy)butyl]piperidine;oxalic acid is sourced from PubChem (CID 2865344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).