1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride

C15H24Cl2N2O2 — CID 171294850

IUPAC1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1cccc2c1OCO2)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22N2O2.2ClH/c1-2-4-13(17-9-7-16-8-10-17)12-5-3-6-14-15(12)19-11-18-14;;/h3,5-6,13,16H,2,4,7-11H2,1H3;2*1H/t13-;;/m1../s1
InChIKeyJASVTETUNGGAHY-FFXKMJQXSA-N
MW335.28 g/mol
LogP3.01
Rot. Bonds4

About 1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride

1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride (PubChem CID 171294850) has the molecular formula C15H24Cl2N2O2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride
PubChem CID171294850
Molecular FormulaC15H24Cl2N2O2
Molecular Weight335.28 g/mol
Exact Mass334.12
IUPAC Name1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1cccc2c1OCO2)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22N2O2.2ClH/c1-2-4-13(17-9-7-16-8-10-17)12-5-3-6-14-15(12)19-11-18-14;;/h3,5-6,13,16H,2,4,7-11H2,1H3;2*1H/t13-;;/m1../s1
InChIKeyJASVTETUNGGAHY-FFXKMJQXSA-N
XLogP3.01
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride
CID 171282206
1-[(1R)-1-(1,3-benzodioxol-4-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171170112
1-[(1S)-1-(1,3-benzodioxol-4-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171164746
1-[(1S)-1-(1,3-benzodioxol-4-yl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171294832
1-[(1R)-1-(1,3-benzodioxol-4-yl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171294860
1-[(1R)-1-(1,3-benzodioxol-4-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171294856
3-[(1R)-1-piperazin-1-ylbutyl]benzene-1,2-diol;dihydrochloride
CID 171287330
1-[(1R)-1-(1,3-benzodioxol-4-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171282209
1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride
CID 171297110
(3S)-3-(1,3-benzodioxol-4-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171190601
1-[(S)-1,3-benzodioxol-4-yl(cyclobutyl)methyl]piperazine;dihydrochloride
CID 171282218
3-[(1R)-1-piperazin-1-ylbutyl]benzene-1,2-diol
CID 171287329

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride (CID 171294850) is 1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride is CCC[C@H](c1cccc2c1OCO2)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride?
The InChIKey is JASVTETUNGGAHY-FFXKMJQXSA-N. The full InChI is InChI=1S/C15H22N2O2.2ClH/c1-2-4-13(17-9-7-16-8-10-17)12-5-3-6-14-15(12)19-11-18-14;;/h3,5-6,13,16H,2,4,7-11H2,1H3;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride?
1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride has a molecular weight of 335.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171294850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).