1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid

C17H23Cl2NO5 — CID 2934364

IUPAC1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid
SMILESCC1CC(C)CN(CCOc2ccc(Cl)cc2Cl)C1.O=C(O)C(=O)O
InChIInChI=1S/C15H21Cl2NO.C2H2O4/c1-11-7-12(2)10-18(9-11)5-6-19-15-4-3-13(16)8-14(15)17;3-1(4)2(5)6/h3-4,8,11-12H,5-7,9-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyXNOPOGPMISIGRD-UHFFFAOYSA-N
MW392.28 g/mol
LogP3.51
Rot. Bonds4

About 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid

1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid (PubChem CID 2934364) has the molecular formula C17H23Cl2NO5 and a molecular weight of 392.28 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid
PubChem CID2934364
Molecular FormulaC17H23Cl2NO5
Molecular Weight392.28 g/mol
Exact Mass391.10
IUPAC Name1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid
SMILESCC1CC(C)CN(CCOc2ccc(Cl)cc2Cl)C1.O=C(O)C(=O)O
InChIInChI=1S/C15H21Cl2NO.C2H2O4/c1-11-7-12(2)10-18(9-11)5-6-19-15-4-3-13(16)8-14(15)17;3-1(4)2(5)6/h3-4,8,11-12H,5-7,9-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyXNOPOGPMISIGRD-UHFFFAOYSA-N
XLogP3.51
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;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-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid (CID 2934364) is 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid is CC1CC(C)CN(CCOc2ccc(Cl)cc2Cl)C1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid?
The InChIKey is XNOPOGPMISIGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO.C2H2O4/c1-11-7-12(2)10-18(9-11)5-6-19-15-4-3-13(16)8-14(15)17;3-1(4)2(5)6/h3-4,8,11-12H,5-7,9-10H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid?
1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine;oxalic acid has a molecular weight of 392.28 g/mol, XLogP of 3.51, 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]-3,5-dimethylpiperidine;oxalic acid is sourced from PubChem (CID 2934364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).