1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride

C22H31ClN2O2 — CID 54598061

IUPAC1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCOc2cccc(C)c2C)CC1.Cl
InChIInChI=1S/C22H30N2O2.ClH/c1-18-8-6-11-21(19(18)2)26-17-7-12-23-13-15-24(16-14-23)20-9-4-5-10-22(20)25-3;/h4-6,8-11H,7,12-17H2,1-3H3;1H
InChIKeyLUKFPBZJCTVVDQ-UHFFFAOYSA-N
MW390.96 g/mol
LogP4.32
Rot. Bonds7

About 1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride

1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride (PubChem CID 54598061) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.96 g/mol. Its IUPAC name is 1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
PubChem CID54598061
Molecular FormulaC22H31ClN2O2
Molecular Weight390.96 g/mol
Exact Mass390.21
IUPAC Name1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCOc2cccc(C)c2C)CC1.Cl
InChIInChI=1S/C22H30N2O2.ClH/c1-18-8-6-11-21(19(18)2)26-17-7-12-23-13-15-24(16-14-23)20-9-4-5-10-22(20)25-3;/h4-6,8-11H,7,12-17H2,1-3H3;1H
InChIKeyLUKFPBZJCTVVDQ-UHFFFAOYSA-N
XLogP4.32
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride 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

Naftopidil
CID 4418
Anisopirol
CID 13333
Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-ethoxyphenyl)-
CID 121102
Naftopidil Dihydrochloride
CID 11957660
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
1-(2-Methoxy-phenyl)-4-[3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10067369
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
1-((2,6-Dimethylphenoxy)propyl)-4-(2-methoxyphenyl)piperazine hydrochloride
CID 54598062
1-[(2,4,6-Trimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine hydrochloride (4)
CID 91937906
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10475634

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride (CID 54598061) is 1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride is COc1ccccc1N1CCN(CCCOc2cccc(C)c2C)CC1.Cl.
What is the InChIKey of 1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is LUKFPBZJCTVVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2.ClH/c1-18-8-6-11-21(19(18)2)26-17-7-12-23-13-15-24(16-14-23)20-9-4-5-10-22(20)25-3;/h4-6,8-11H,7,12-17H2,1-3H3;1H.
What are the key properties of 1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 390.96 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 54598061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).