1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride

C15H24Cl2N2O2 — CID 171297110

IUPAC1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccc2c(c1)OCO2)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22N2O2.2ClH/c1-2-3-13(17-8-6-16-7-9-17)12-4-5-14-15(10-12)19-11-18-14;;/h4-5,10,13,16H,2-3,6-9,11H2,1H3;2*1H/t13-;;/m1../s1
InChIKeyIKZDPVRGDMTXAT-FFXKMJQXSA-N
MW335.28 g/mol
LogP3.01
Rot. Bonds4

About 1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride

1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride (PubChem CID 171297110) has the molecular formula C15H24Cl2N2O2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride
PubChem CID171297110
Molecular FormulaC15H24Cl2N2O2
Molecular Weight335.28 g/mol
Exact Mass334.12
IUPAC Name1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccc2c(c1)OCO2)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22N2O2.2ClH/c1-2-3-13(17-8-6-16-7-9-17)12-4-5-14-15(10-12)19-11-18-14;;/h4-5,10,13,16H,2-3,6-9,11H2,1H3;2*1H/t13-;;/m1../s1
InChIKeyIKZDPVRGDMTXAT-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-5-yl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171297096
1-[(1S)-1-(1,3-benzodioxol-5-yl)-3-methylbutyl]piperazine;dihydrochloride
CID 171284492
1-[(1S)-1-(1,3-benzodioxol-5-yl)-3-methylbutyl]piperazine
CID 95479287
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine
CID 171310993
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine
CID 28798830
1-[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)butyl]piperazine
CID 171167683
1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine
CID 171297111
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine
CID 171170564
1-[(1R)-1-(1,3-benzodioxol-4-yl)butyl]piperazine;dihydrochloride
CID 171294850
1-[(1S)-1-(4-iodophenyl)butyl]piperazine
CID 171276051
1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
CID 171168852
6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride
CID 171275163

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride (CID 171297110) is 1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride is CCC[C@H](c1ccc2c(c1)OCO2)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride?
The InChIKey is IKZDPVRGDMTXAT-FFXKMJQXSA-N. The full InChI is InChI=1S/C15H22N2O2.2ClH/c1-2-3-13(17-8-6-16-7-9-17)12-4-5-14-15(10-12)19-11-18-14;;/h4-5,10,13,16H,2-3,6-9,11H2,1H3;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride?
1-[(1R)-1-(1,3-benzodioxol-5-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-5-yl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171297110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).