1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride

C19H33ClN2O3 — CID 24747592

IUPAC1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride
SMILESCOc1cccc(OC)c1OCCCCCCN1CCN(C)CC1.Cl
InChIInChI=1S/C19H32N2O3.ClH/c1-20-12-14-21(15-13-20)11-6-4-5-7-16-24-19-17(22-2)9-8-10-18(19)23-3;/h8-10H,4-7,11-16H2,1-3H3;1H
InChIKeyULPBXMMZNACKAL-UHFFFAOYSA-N
MW372.94 g/mol
LogP3.31
Rot. Bonds10

About 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride

1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride (PubChem CID 24747592) has the molecular formula C19H33ClN2O3 and a molecular weight of 372.94 g/mol. Its IUPAC name is 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride
PubChem CID24747592
Molecular FormulaC19H33ClN2O3
Molecular Weight372.94 g/mol
Exact Mass372.22
IUPAC Name1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride
SMILESCOc1cccc(OC)c1OCCCCCCN1CCN(C)CC1.Cl
InChIInChI=1S/C19H32N2O3.ClH/c1-20-12-14-21(15-13-20)11-6-4-5-7-16-24-19-17(22-2)9-8-10-18(19)23-3;/h8-10H,4-7,11-16H2,1-3H3;1H
InChIKeyULPBXMMZNACKAL-UHFFFAOYSA-N
XLogP3.31
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride 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-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride (CID 24747592) is 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride is COc1cccc(OC)c1OCCCCCCN1CCN(C)CC1.Cl.
What is the InChIKey of 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride?
The InChIKey is ULPBXMMZNACKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3.ClH/c1-20-12-14-21(15-13-20)11-6-4-5-7-16-24-19-17(22-2)9-8-10-18(19)23-3;/h8-10H,4-7,11-16H2,1-3H3;1H.
What are the key properties of 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride?
1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride has a molecular weight of 372.94 g/mol, XLogP of 3.31, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 24747592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).