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

C15H19Cl2NO5 — CID 2847926

IUPAC1-[2-(2,4-dichlorophenoxy)ethyl]piperidine;oxalic acid
SMILESClc1ccc(OCCN2CCCCC2)c(Cl)c1.O=C(O)C(=O)O
InChIInChI=1S/C13H17Cl2NO.C2H2O4/c14-11-4-5-13(12(15)10-11)17-9-8-16-6-2-1-3-7-16;3-1(4)2(5)6/h4-5,10H,1-3,6-9H2;(H,3,4)(H,5,6)
InChIKeyFBTNWDCFSYUGSA-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.01
Rot. Bonds4

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

1-[2-(2,4-dichlorophenoxy)ethyl]piperidine;oxalic acid (PubChem CID 2847926) has the molecular formula C15H19Cl2NO5 and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)ethyl]piperidine;oxalic acid.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)ethyl]piperidine;oxalic acid
PubChem CID2847926
Molecular FormulaC15H19Cl2NO5
Molecular Weight364.23 g/mol
Exact Mass363.06
IUPAC Name1-[2-(2,4-dichlorophenoxy)ethyl]piperidine;oxalic acid
SMILESClc1ccc(OCCN2CCCCC2)c(Cl)c1.O=C(O)C(=O)O
InChIInChI=1S/C13H17Cl2NO.C2H2O4/c14-11-4-5-13(12(15)10-11)17-9-8-16-6-2-1-3-7-16;3-1(4)2(5)6/h4-5,10H,1-3,6-9H2;(H,3,4)(H,5,6)
InChIKeyFBTNWDCFSYUGSA-UHFFFAOYSA-N
XLogP3.01
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-D-diolamine
CID 16825
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]piperazine oxalate
CID 2924265
(4-Chloro-phenoxy)-acetic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2928132
4-[4-(4-Chlorophenoxy)-2-butyn-1-yl]morpholine oxalate
CID 2961620
1-[4-(4-Chlorophenoxy)butyl]piperidine;oxalic acid
CID 24761474
1-[2-(2-Chlorophenoxy)ethyl]piperidine
CID 742763
Methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate
CID 2940357
2-(4-Chloro-phenoxy)-1-(4-cyclopentyl-piperazin-1-yl)-ethanone
CID 17369419
2,4-D triethylammonium salt
CID 62454
2,4-D Diethylamine salt
CID 62747

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]piperidine;oxalic acid?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]piperidine;oxalic acid (CID 2847926) is 1-[2-(2,4-dichlorophenoxy)ethyl]piperidine;oxalic acid.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)ethyl]piperidine;oxalic acid?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)ethyl]piperidine;oxalic acid is Clc1ccc(OCCN2CCCCC2)c(Cl)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)ethyl]piperidine;oxalic acid?
The InChIKey is FBTNWDCFSYUGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO.C2H2O4/c14-11-4-5-13(12(15)10-11)17-9-8-16-6-2-1-3-7-16;3-1(4)2(5)6/h4-5,10H,1-3,6-9H2;(H,3,4)(H,5,6).
What are the key properties of 1-[2-(2,4-dichlorophenoxy)ethyl]piperidine;oxalic acid?
1-[2-(2,4-dichlorophenoxy)ethyl]piperidine;oxalic acid has a molecular weight of 364.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)ethyl]piperidine;oxalic acid is sourced from PubChem (CID 2847926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).