1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride

C17H30Cl2N2O2 — CID 171287474

IUPAC1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
SMILESCOc1cccc(OC)c1[C@@H](CC(C)C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-13(2)12-14(19-10-8-18-9-11-19)17-15(20-3)6-5-7-16(17)21-4;;/h5-7,13-14,18H,8-12H2,1-4H3;2*1H/t14-;;/m1../s1
InChIKeyLLAORPFYJAPTGP-FMOMHUKBSA-N
MW365.35 g/mol
LogP3.54
Rot. Bonds6

About 1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride

1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride (PubChem CID 171287474) has the molecular formula C17H30Cl2N2O2 and a molecular weight of 365.35 g/mol. Its IUPAC name is 1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
PubChem CID171287474
Molecular FormulaC17H30Cl2N2O2
Molecular Weight365.35 g/mol
Exact Mass364.17
IUPAC Name1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
SMILESCOc1cccc(OC)c1[C@@H](CC(C)C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-13(2)12-14(19-10-8-18-9-11-19)17-15(20-3)6-5-7-16(17)21-4;;/h5-7,13-14,18H,8-12H2,1-4H3;2*1H/t14-;;/m1../s1
InChIKeyLLAORPFYJAPTGP-FMOMHUKBSA-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-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine
CID 171296585
1-[(1R)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine
CID 171182666
1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171168839
1-[(1S)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302479
(3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305894
1-[(1S)-1-(2,6-difluoro-3-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171167759
(3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189484
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)propyl]piperazine
CID 171172230
1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine
CID 171169542
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171170121
1-[(1S)-4,4,4-trifluoro-1-(2-fluoro-6-methoxyphenyl)butyl]piperazine;hydrochloride
CID 171166860
1-[(1S)-3-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
CID 171273831

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride (CID 171287474) is 1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride is COc1cccc(OC)c1[C@@H](CC(C)C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride?
The InChIKey is LLAORPFYJAPTGP-FMOMHUKBSA-N. The full InChI is InChI=1S/C17H28N2O2.2ClH/c1-13(2)12-14(19-10-8-18-9-11-19)17-15(20-3)6-5-7-16(17)21-4;;/h5-7,13-14,18H,8-12H2,1-4H3;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride?
1-[(1R)-1-(2,6-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-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).