1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid

C19H30N2O5 — CID 23723192

IUPAC1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid
SMILESCc1ccccc1OCCCCCCN1CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H28N2O.C2H2O4/c1-16-8-4-5-9-17(16)20-15-7-3-2-6-12-19-13-10-18-11-14-19;3-1(4)2(5)6/h4-5,8-9,18H,2-3,6-7,10-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyLSZDCAMISMTLRR-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.00
Rot. Bonds8

About 1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid

1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid (PubChem CID 23723192) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid
PubChem CID23723192
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid
SMILESCc1ccccc1OCCCCCCN1CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H28N2O.C2H2O4/c1-16-8-4-5-9-17(16)20-15-7-3-2-6-12-19-13-10-18-11-14-19;3-1(4)2(5)6/h4-5,8-9,18H,2-3,6-7,10-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyLSZDCAMISMTLRR-UHFFFAOYSA-N
XLogP2.00
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[6-(2-methylphenoxy)hexyl]piperazine;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-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid?
The IUPAC name of 1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid (CID 23723192) is 1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid.
What is the SMILES notation for 1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid?
The canonical SMILES for 1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid is Cc1ccccc1OCCCCCCN1CCNCC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid?
The InChIKey is LSZDCAMISMTLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.C2H2O4/c1-16-8-4-5-9-17(16)20-15-7-3-2-6-12-19-13-10-18-11-14-19;3-1(4)2(5)6/h4-5,8-9,18H,2-3,6-7,10-15H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid?
1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid has a molecular weight of 366.46 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylphenoxy)hexyl]piperazine;oxalic acid is sourced from PubChem (CID 23723192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).