(3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride

C11H17ClN2O2 — CID 119400963

IUPAC(3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1cc(C)c(C(=O)N2CCNCC2)o1.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-8-7-9(2)15-10(8)11(14)13-5-3-12-4-6-13;/h7,12H,3-6H2,1-2H3;1H
InChIKeyCVUNSMMKOZWXHC-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.36
Rot. Bonds1

About (3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride

(3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119400963) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is (3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119400963
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name(3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1cc(C)c(C(=O)N2CCNCC2)o1.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-8-7-9(2)15-10(8)11(14)13-5-3-12-4-6-13;/h7,12H,3-6H2,1-2H3;1H
InChIKeyCVUNSMMKOZWXHC-UHFFFAOYSA-N
XLogP1.36
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560716
(4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone
CID 119373769
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone
CID 119517710
(3,5-dimethylfuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570950
(3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
CID 119378232
piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774
(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone
CID 82266519
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128
(3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737581
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 130978963
(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 126965683

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride (CID 119400963) is (3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride is Cc1cc(C)c(C(=O)N2CCNCC2)o1.Cl.
What is the InChIKey of (3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is CVUNSMMKOZWXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-8-7-9(2)15-10(8)11(14)13-5-3-12-4-6-13;/h7,12H,3-6H2,1-2H3;1H.
What are the key properties of (3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride?
(3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119400963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).