furan-3-yl(piperazin-1-yl)methanone;hydrochloride

C9H13ClN2O2 — CID 50988756

IUPACfuran-3-yl(piperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccoc1)N1CCNCC1
InChIInChI=1S/C9H12N2O2.ClH/c12-9(8-1-6-13-7-8)11-4-2-10-3-5-11;/h1,6-7,10H,2-5H2;1H
InChIKeyDJIPTERSPZNXIS-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.75
Rot. Bonds1

About furan-3-yl(piperazin-1-yl)methanone;hydrochloride

furan-3-yl(piperazin-1-yl)methanone;hydrochloride (PubChem CID 50988756) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is furan-3-yl(piperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Namefuran-3-yl(piperazin-1-yl)methanone;hydrochloride
PubChem CID50988756
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Namefuran-3-yl(piperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccoc1)N1CCNCC1
InChIInChI=1S/C9H12N2O2.ClH/c12-9(8-1-6-13-7-8)11-4-2-10-3-5-11;/h1,6-7,10H,2-5H2;1H
InChIKeyDJIPTERSPZNXIS-UHFFFAOYSA-N
XLogP0.75
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl(piperazin-1-yl)methanone;hydrochloride?
The IUPAC name of furan-3-yl(piperazin-1-yl)methanone;hydrochloride (CID 50988756) is furan-3-yl(piperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for furan-3-yl(piperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for furan-3-yl(piperazin-1-yl)methanone;hydrochloride is Cl.O=C(c1ccoc1)N1CCNCC1.
What is the InChIKey of furan-3-yl(piperazin-1-yl)methanone;hydrochloride?
The InChIKey is DJIPTERSPZNXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c12-9(8-1-6-13-7-8)11-4-2-10-3-5-11;/h1,6-7,10H,2-5H2;1H.
What are the key properties of furan-3-yl(piperazin-1-yl)methanone;hydrochloride?
furan-3-yl(piperazin-1-yl)methanone;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl(piperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 50988756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).