ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride

C14H23ClN2O3 — CID 120906103

IUPACethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(CN2CC(C)NCC2C)o1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-4-18-14(17)13-6-5-12(19-13)9-16-8-10(2)15-7-11(16)3;/h5-6,10-11,15H,4,7-9H2,1-3H3;1H
InChIKeyQKRGQHJZPOPXHV-UHFFFAOYSA-N
MW302.80 g/mol
LogP2.06
Rot. Bonds4

About ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride

ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride (PubChem CID 120906103) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride
PubChem CID120906103
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Nameethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(CN2CC(C)NCC2C)o1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-4-18-14(17)13-6-5-12(19-13)9-16-8-10(2)15-7-11(16)3;/h5-6,10-11,15H,4,7-9H2,1-3H3;1H
InChIKeyQKRGQHJZPOPXHV-UHFFFAOYSA-N
XLogP2.06
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride (CID 120906103) is ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride is CCOC(=O)c1ccc(CN2CC(C)NCC2C)o1.Cl.
What is the InChIKey of ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride?
The InChIKey is QKRGQHJZPOPXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-4-18-14(17)13-6-5-12(19-13)9-16-8-10(2)15-7-11(16)3;/h5-6,10-11,15H,4,7-9H2,1-3H3;1H.
What are the key properties of ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride?
ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 120906103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).