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

C16H28Cl2N2O2 — CID 171273682

IUPAC1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@@H](c1cc(OC)cc(OC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H26N2O2.2ClH/c1-4-5-16(18-8-6-17-7-9-18)13-10-14(19-2)12-15(11-13)20-3;;/h10-12,16-17H,4-9H2,1-3H3;2*1H/t16-;;/m0../s1
InChIKeyCYIUGBGWKSIIHM-SQKCAUCHSA-N
MW351.32 g/mol
LogP3.29
Rot. Bonds6

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

1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride (PubChem CID 171273682) has the molecular formula C16H28Cl2N2O2 and a molecular weight of 351.32 g/mol. Its IUPAC name is 1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride
PubChem CID171273682
Molecular FormulaC16H28Cl2N2O2
Molecular Weight351.32 g/mol
Exact Mass350.15
IUPAC Name1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@@H](c1cc(OC)cc(OC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H26N2O2.2ClH/c1-4-5-16(18-8-6-17-7-9-18)13-10-14(19-2)12-15(11-13)20-3;;/h10-12,16-17H,4-9H2,1-3H3;2*1H/t16-;;/m0../s1
InChIKeyCYIUGBGWKSIIHM-SQKCAUCHSA-N
XLogP3.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307391
1-[(1S)-1-(3,5-dimethoxyphenyl)pentyl]piperazine
CID 171308687
1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171286292
1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171168494
(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471010
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171275608
1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178562
1-[(1S)-1-(3,5-dimethylphenyl)butyl]piperazine;dihydrochloride
CID 171275537
(3S)-3-(3,5-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305828
5-[(1S)-1-piperazin-1-ylbutyl]benzene-1,3-diol;dihydrochloride
CID 171273865
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1-[(1S)-1-(3,4,5-trifluorophenyl)butyl]piperazine;hydrochloride
CID 171164975

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride (CID 171273682) is 1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride is CCC[C@@H](c1cc(OC)cc(OC)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride?
The InChIKey is CYIUGBGWKSIIHM-SQKCAUCHSA-N. The full InChI is InChI=1S/C16H26N2O2.2ClH/c1-4-5-16(18-8-6-17-7-9-18)13-10-14(19-2)12-15(11-13)20-3;;/h10-12,16-17H,4-9H2,1-3H3;2*1H/t16-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride?
1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride has a molecular weight of 351.32 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171273682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).