1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride

C15H25Cl2FN2O2 — CID 171295369

IUPAC1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@H](c1cc(OC)c(OC)cc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23FN2O2.2ClH/c1-4-13(18-7-5-17-6-8-18)11-9-14(19-2)15(20-3)10-12(11)16;;/h9-10,13,17H,4-8H2,1-3H3;2*1H/t13-;;/m1../s1
InChIKeyHKJDPXZNUUDEMG-FFXKMJQXSA-N
MW355.28 g/mol
LogP3.04
Rot. Bonds5

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

1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride (PubChem CID 171295369) has the molecular formula C15H25Cl2FN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride
PubChem CID171295369
Molecular FormulaC15H25Cl2FN2O2
Molecular Weight355.28 g/mol
Exact Mass354.13
IUPAC Name1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@H](c1cc(OC)c(OC)cc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23FN2O2.2ClH/c1-4-13(18-7-5-17-6-8-18)11-9-14(19-2)15(20-3)10-12(11)16;;/h9-10,13,17H,4-8H2,1-3H3;2*1H/t13-;;/m1../s1
InChIKeyHKJDPXZNUUDEMG-FFXKMJQXSA-N
XLogP3.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)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

(2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 171174768
1-[(1R)-1-(2,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171292983
1-[(1S)-3,3,3-trifluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine
CID 171167387
1-[(1R)-4,4,4-trifluoro-1-(2-fluoro-4,5-dimethoxyphenyl)butyl]piperazine
CID 171172693
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295391
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
CID 171164771
1-[(1R)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
CID 171170122
1-[(1R)-2,2-difluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171282753
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171168816
1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171273557
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295389
4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171299716

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride (CID 171295369) is 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride is CC[C@H](c1cc(OC)c(OC)cc1F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride?
The InChIKey is HKJDPXZNUUDEMG-FFXKMJQXSA-N. The full InChI is InChI=1S/C15H23FN2O2.2ClH/c1-4-13(18-7-5-17-6-8-18)11-9-14(19-2)15(20-3)10-12(11)16;;/h9-10,13,17H,4-8H2,1-3H3;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride has a molecular weight of 355.28 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).