1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride

C17H28Cl2N2O3 — CID 171308482

IUPAC1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1cc(OC)c2c(c1)OCO2)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H26N2O3.2ClH/c1-3-4-5-14(19-8-6-18-7-9-19)13-10-15(20-2)17-16(11-13)21-12-22-17;;/h10-11,14,18H,3-9,12H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeyIORLAZIJQGHLOJ-FMOMHUKBSA-N
MW379.33 g/mol
LogP3.40
Rot. Bonds6

About 1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride

1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride (PubChem CID 171308482) has the molecular formula C17H28Cl2N2O3 and a molecular weight of 379.33 g/mol. Its IUPAC name is 1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride
PubChem CID171308482
Molecular FormulaC17H28Cl2N2O3
Molecular Weight379.33 g/mol
Exact Mass378.15
IUPAC Name1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1cc(OC)c2c(c1)OCO2)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H26N2O3.2ClH/c1-3-4-5-14(19-8-6-18-7-9-19)13-10-15(20-2)17-16(11-13)21-12-22-17;;/h10-11,14,18H,3-9,12H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeyIORLAZIJQGHLOJ-FMOMHUKBSA-N
XLogP3.40
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
2,6-dimethoxy-4-[(1S)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171308702
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308902
1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307391
1-[(1S)-1-(3,5-dimethoxyphenyl)pentyl]piperazine
CID 171308687
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171163687
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171275608
2-bromo-6-methoxy-4-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307896
1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride
CID 171297110
1-[(1S)-1-(3-bromo-4-methoxyphenyl)pentyl]piperazine
CID 171309147
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine
CID 171163686

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride (CID 171308482) is 1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride is CCCC[C@H](c1cc(OC)c2c(c1)OCO2)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride?
The InChIKey is IORLAZIJQGHLOJ-FMOMHUKBSA-N. The full InChI is InChI=1S/C17H26N2O3.2ClH/c1-3-4-5-14(19-8-6-18-7-9-19)13-10-15(20-2)17-16(11-13)21-12-22-17;;/h10-11,14,18H,3-9,12H2,1-2H3;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride?
1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride has a molecular weight of 379.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).