1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride

C22H32Cl2N2O3 — CID 171295579

IUPAC1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@H](c1cc(OC)c(OC)cc1OCc1ccccc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C22H30N2O3.2ClH/c1-4-19(24-12-10-23-11-13-24)18-14-21(25-2)22(26-3)15-20(18)27-16-17-8-6-5-7-9-17;;/h5-9,14-15,19,23H,4,10-13,16H2,1-3H3;2*1H/t19-;;/m1../s1
InChIKeyRTEHLAJDXAREPA-JQDLGSOUSA-N
MW443.42 g/mol
LogP4.48
Rot. Bonds8

About 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride

1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride (PubChem CID 171295579) has the molecular formula C22H32Cl2N2O3 and a molecular weight of 443.42 g/mol. Its IUPAC name is 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
PubChem CID171295579
Molecular FormulaC22H32Cl2N2O3
Molecular Weight443.42 g/mol
Exact Mass442.18
IUPAC Name1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@H](c1cc(OC)c(OC)cc1OCc1ccccc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C22H30N2O3.2ClH/c1-4-19(24-12-10-23-11-13-24)18-14-21(25-2)22(26-3)15-20(18)27-16-17-8-6-5-7-9-17;;/h5-9,14-15,19,23H,4,10-13,16H2,1-3H3;2*1H/t19-;;/m1../s1
InChIKeyRTEHLAJDXAREPA-JQDLGSOUSA-N
XLogP4.48
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride 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

1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295603
1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171282985
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3-fluoropropyl]piperazine
CID 171172771
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304869
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171172753
1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutyl]piperazine
CID 171305634
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine
CID 171295610
1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine
CID 171282960
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183658
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 171308355
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691
1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
CID 171172841

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride (CID 171295579) is 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride is CC[C@H](c1cc(OC)c(OC)cc1OCc1ccccc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride?
The InChIKey is RTEHLAJDXAREPA-JQDLGSOUSA-N. The full InChI is InChI=1S/C22H30N2O3.2ClH/c1-4-19(24-12-10-23-11-13-24)18-14-21(25-2)22(26-3)15-20(18)27-16-17-8-6-5-7-9-17;;/h5-9,14-15,19,23H,4,10-13,16H2,1-3H3;2*1H/t19-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride?
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride has a molecular weight of 443.42 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).