(2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

C13H21ClN2O2 — CID 120572283

IUPAC(2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNC(C)C2C)c(C)o1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-8-7-12(11(4)17-8)13(16)15-6-5-14-9(2)10(15)3;/h7,9-10,14H,5-6H2,1-4H3;1H
InChIKeyYNRQUGLPNPQPIE-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.14
Rot. Bonds1

About (2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

(2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120572283) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120572283
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name(2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNC(C)C2C)c(C)o1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-8-7-12(11(4)17-8)13(16)15-6-5-14-9(2)10(15)3;/h7,9-10,14H,5-6H2,1-4H3;1H
InChIKeyYNRQUGLPNPQPIE-UHFFFAOYSA-N
XLogP2.14
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylfuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570950
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572277
(2,4-difluoro-5-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571461
(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818
(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570274
(2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 120569646
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
(2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride
CID 120572033
(5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570438
(2,3-dimethylpiperazin-1-yl)-(2-methyl-4-nitrophenyl)methanone;hydrochloride
CID 120570541
(4-bromo-2-fluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570706

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (CID 120572283) is (2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is Cc1cc(C(=O)N2CCNC(C)C2C)c(C)o1.Cl.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is YNRQUGLPNPQPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-8-7-12(11(4)17-8)13(16)15-6-5-14-9(2)10(15)3;/h7,9-10,14H,5-6H2,1-4H3;1H.
What are the key properties of (2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
(2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120572283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).