1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride

C12H20Cl2N2O — CID 171294318

IUPAC1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1ccc(C)o1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H18N2O.2ClH/c1-3-11(12-5-4-10(2)15-12)14-8-6-13-7-9-14;;/h3-5,11,13H,1,6-9H2,2H3;2*1H/t11-;;/m1../s1
InChIKeyATGPZFOLQLCYPE-NVJADKKVSA-N
MW279.21 g/mol
LogP2.56
Rot. Bonds3

About 1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride

1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride (PubChem CID 171294318) has the molecular formula C12H20Cl2N2O and a molecular weight of 279.21 g/mol. Its IUPAC name is 1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride
PubChem CID171294318
Molecular FormulaC12H20Cl2N2O
Molecular Weight279.21 g/mol
Exact Mass278.10
IUPAC Name1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1ccc(C)o1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H18N2O.2ClH/c1-3-11(12-5-4-10(2)15-12)14-8-6-13-7-9-14;;/h3-5,11,13H,1,6-9H2,2H3;2*1H/t11-;;/m1../s1
InChIKeyATGPZFOLQLCYPE-NVJADKKVSA-N
XLogP2.56
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(5-methylfuran-2-yl)but-3-enyl]piperazine;dihydrochloride
CID 171281705
1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine
CID 131536658
1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine
CID 171281728
1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171282351
trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride
CID 171291643
1-[(1R)-1-(2,3-dimethylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171288426
1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine
CID 131340109
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride
CID 171166634
1-[(1S)-1-(2-fluoro-5-iodophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171284066
1-[(1S)-1-(4-fluoro-2-methylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171275255
1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine
CID 171295226
1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride
CID 171166092

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride (CID 171294318) is 1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride is C=C[C@H](c1ccc(C)o1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride?
The InChIKey is ATGPZFOLQLCYPE-NVJADKKVSA-N. The full InChI is InChI=1S/C12H18N2O.2ClH/c1-3-11(12-5-4-10(2)15-12)14-8-6-13-7-9-14;;/h3-5,11,13H,1,6-9H2,2H3;2*1H/t11-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride has a molecular weight of 279.21 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171294318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).