1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride

C14H23BrCl2N2O2 — CID 171283147

IUPAC1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1cc([C@H](C)N2CCNCC2)c(OC)cc1Br.Cl.Cl
InChIInChI=1S/C14H21BrN2O2.2ClH/c1-10(17-6-4-16-5-7-17)11-8-14(19-3)12(15)9-13(11)18-2;;/h8-10,16H,4-7H2,1-3H3;2*1H/t10-;;/m0../s1
InChIKeyZYJOPNQGYXBGRN-XRIOVQLTSA-N
MW402.16 g/mol
LogP3.28
Rot. Bonds4

About 1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride

1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171283147) has the molecular formula C14H23BrCl2N2O2 and a molecular weight of 402.16 g/mol. Its IUPAC name is 1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171283147
Molecular FormulaC14H23BrCl2N2O2
Molecular Weight402.16 g/mol
Exact Mass400.03
IUPAC Name1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1cc([C@H](C)N2CCNCC2)c(OC)cc1Br.Cl.Cl
InChIInChI=1S/C14H21BrN2O2.2ClH/c1-10(17-6-4-16-5-7-17)11-8-14(19-3)12(15)9-13(11)18-2;;/h8-10,16H,4-7H2,1-3H3;2*1H/t10-;;/m0../s1
InChIKeyZYJOPNQGYXBGRN-XRIOVQLTSA-N
XLogP3.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.16
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]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-bromo-2,5-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171295771
1-[(S)-(4-bromo-2,5-dimethoxyphenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171283159
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189768
1-[(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177858
1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171290106
1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)butyl]piperazine
CID 171283172
2,3-dibromo-6-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol
CID 171296289
1-[1-(2-methoxy-4,5-dimethylphenyl)ethyl]-1,4-diazepane
CID 82302974
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296852
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride (CID 171283147) is 1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride is COc1cc([C@H](C)N2CCNCC2)c(OC)cc1Br.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is ZYJOPNQGYXBGRN-XRIOVQLTSA-N. The full InChI is InChI=1S/C14H21BrN2O2.2ClH/c1-10(17-6-4-16-5-7-17)11-8-14(19-3)12(15)9-13(11)18-2;;/h8-10,16H,4-7H2,1-3H3;2*1H/t10-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride?
1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 402.16 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171283147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).