1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine

C15H22N2O2 — CID 28798830

IUPAC1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine
SMILESCC[C@H](c1ccc2c(c1)OCCO2)N1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-2-13(17-7-5-16-6-8-17)12-3-4-14-15(11-12)19-10-9-18-14/h3-4,11,13,16H,2,5-10H2,1H3/t13-/m1/s1
InChIKeyAIUPBVFCMZFEJV-CYBMUJFWSA-N
MW262.35 g/mol
LogP1.81
Rot. Bonds3

About 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine

1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine (PubChem CID 28798830) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine
PubChem CID28798830
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine
SMILESCC[C@H](c1ccc2c(c1)OCCO2)N1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-2-13(17-7-5-16-6-8-17)12-3-4-14-15(11-12)19-10-9-18-14/h3-4,11,13,16H,2,5-10H2,1H3/t13-/m1/s1
InChIKeyAIUPBVFCMZFEJV-CYBMUJFWSA-N
XLogP1.81
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine
CID 171310993
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride
CID 171275729
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutyl]piperazine
CID 171305376
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine
CID 171170564
1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride
CID 171297110
1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride
CID 171173098
1-[(1S)-1-(1,3-benzodioxol-5-yl)-3-methylbutyl]piperazine
CID 95479287
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-(3,4-difluorophenyl)propyl]piperazine
CID 95454803
1-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 28799286
1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 28799283

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine (CID 28798830) is 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine is CC[C@H](c1ccc2c(c1)OCCO2)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine?
The InChIKey is AIUPBVFCMZFEJV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-13(17-7-5-16-6-8-17)12-3-4-14-15(11-12)19-10-9-18-14/h3-4,11,13,16H,2,5-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine?
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine has a molecular weight of 262.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine is sourced from PubChem (CID 28798830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).