1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride

C17H30Cl2N2O2 — CID 171274130

IUPAC1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
SMILESCOc1ccc(OC)c([C@H](CC(C)C)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-13(2)11-16(19-9-7-18-8-10-19)15-12-14(20-3)5-6-17(15)21-4;;/h5-6,12-13,16,18H,7-11H2,1-4H3;2*1H/t16-;;/m0../s1
InChIKeySDIPXSWJAAQYSP-SQKCAUCHSA-N
MW365.35 g/mol
LogP3.54
Rot. Bonds6

About 1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride

1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride (PubChem CID 171274130) has the molecular formula C17H30Cl2N2O2 and a molecular weight of 365.35 g/mol. Its IUPAC name is 1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
PubChem CID171274130
Molecular FormulaC17H30Cl2N2O2
Molecular Weight365.35 g/mol
Exact Mass364.17
IUPAC Name1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
SMILESCOc1ccc(OC)c([C@H](CC(C)C)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-13(2)11-16(19-9-7-18-8-10-19)15-12-14(20-3)5-6-17(15)21-4;;/h5-6,12-13,16,18H,7-11H2,1-4H3;2*1H/t16-;;/m0../s1
InChIKeySDIPXSWJAAQYSP-SQKCAUCHSA-N
XLogP3.54
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(2,4-dimethoxyphenyl)-3-methylbutyl]piperazine
CID 95493723
1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
CID 171309939
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171170121
1-[(1R)-1-(2-fluoro-4-methoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286637
(3R)-3-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306598
(3S)-3-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305853
1-[(1R)-1-(2,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303391
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-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
1-[(1S)-3-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
CID 171273831
3-methoxy-4-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171274515

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride (CID 171274130) is 1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride is COc1ccc(OC)c([C@H](CC(C)C)N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride?
The InChIKey is SDIPXSWJAAQYSP-SQKCAUCHSA-N. The full InChI is InChI=1S/C17H28N2O2.2ClH/c1-13(2)11-16(19-9-7-18-8-10-19)15-12-14(20-3)5-6-17(15)21-4;;/h5-6,12-13,16,18H,7-11H2,1-4H3;2*1H/t16-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride?
1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride has a molecular weight of 365.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171274130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).