1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride

C14H22Cl2N2O2 — CID 171282206

IUPAC1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1cccc2c1OCO2)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H20N2O2.2ClH/c1-2-12(16-8-6-15-7-9-16)11-4-3-5-13-14(11)18-10-17-13;;/h3-5,12,15H,2,6-10H2,1H3;2*1H/t12-;;/m0../s1
InChIKeySXYKDQISKNRBPK-LTCKWSDVSA-N
MW321.25 g/mol
LogP2.62
Rot. Bonds3

About 1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride

1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride (PubChem CID 171282206) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride
PubChem CID171282206
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC Name1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1cccc2c1OCO2)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H20N2O2.2ClH/c1-2-12(16-8-6-15-7-9-16)11-4-3-5-13-14(11)18-10-17-13;;/h3-5,12,15H,2,6-10H2,1H3;2*1H/t12-;;/m0../s1
InChIKeySXYKDQISKNRBPK-LTCKWSDVSA-N
XLogP2.62
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride
CID 171294850
1-[(1S)-1-(1,3-benzodioxol-4-yl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171294832
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-[(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
1-[(1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride
CID 171279271
1-[(1R)-1-(1,3-benzodioxol-4-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171282209
(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
1-[(S)-1,3-benzodioxol-4-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171294844
(3S)-3-(1,3-benzodioxol-4-yl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171176183

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride (CID 171282206) is 1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride is CC[C@@H](c1cccc2c1OCO2)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride?
The InChIKey is SXYKDQISKNRBPK-LTCKWSDVSA-N. The full InChI is InChI=1S/C14H20N2O2.2ClH/c1-2-12(16-8-6-15-7-9-16)11-4-3-5-13-14(11)18-10-17-13;;/h3-5,12,15H,2,6-10H2,1H3;2*1H/t12-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride?
1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride has a molecular weight of 321.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171282206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).