1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride

C14H19ClF2N2O2 — CID 171173098

IUPAC1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride
SMILESCC[C@H](c1ccc2c(c1)OC(F)(F)O2)N1CCNCC1.Cl
InChIInChI=1S/C14H18F2N2O2.ClH/c1-2-11(18-7-5-17-6-8-18)10-3-4-12-13(9-10)20-14(15,16)19-12;/h3-4,9,11,17H,2,5-8H2,1H3;1H/t11-;/m1./s1
InChIKeyJHHFSLODXZKOIF-RFVHGSKJSA-N
MW320.77 g/mol
LogP2.79
Rot. Bonds3

About 1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride

1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride (PubChem CID 171173098) has the molecular formula C14H19ClF2N2O2 and a molecular weight of 320.77 g/mol. Its IUPAC name is 1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride
PubChem CID171173098
Molecular FormulaC14H19ClF2N2O2
Molecular Weight320.77 g/mol
Exact Mass320.11
IUPAC Name1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride
SMILESCC[C@H](c1ccc2c(c1)OC(F)(F)O2)N1CCNCC1.Cl
InChIInChI=1S/C14H18F2N2O2.ClH/c1-2-11(18-7-5-17-6-8-18)10-3-4-12-13(9-10)20-14(15,16)19-12;/h3-4,9,11,17H,2,5-8H2,1H3;1H/t11-;/m1./s1
InChIKeyJHHFSLODXZKOIF-RFVHGSKJSA-N
XLogP2.79
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)butyl]piperazine
CID 171167683
1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)hexyl]piperazine;dihydrochloride
CID 171308434
1-[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303176
1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)but-3-enyl]piperazine;hydrochloride
CID 171173110
(4R)-4-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171174112
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine
CID 28798830
1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperazine
CID 171283837
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171280439
1-[(R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine;hydrochloride
CID 171178024
1-[(1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride
CID 171279271
1-[(S)-cyclopentyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine;hydrochloride
CID 171167716
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride
CID 171275729

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride (CID 171173098) is 1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride is CC[C@H](c1ccc2c(c1)OC(F)(F)O2)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride?
The InChIKey is JHHFSLODXZKOIF-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H18F2N2O2.ClH/c1-2-11(18-7-5-17-6-8-18)10-3-4-12-13(9-10)20-14(15,16)19-12;/h3-4,9,11,17H,2,5-8H2,1H3;1H/t11-;/m1./s1.
What are the key properties of 1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride?
1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride has a molecular weight of 320.77 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171173098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).