ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate

C14H22N2O3 — CID 65461769

IUPACethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCNCC1(C)C
InChIInChI=1S/C14H22N2O3/c1-4-18-13(17)11-5-8-19-12(11)9-16-7-6-15-10-14(16,2)3/h5,8,15H,4,6-7,9-10H2,1-3H3
InChIKeyRDQZZFFJPHPVOW-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.64
Rot. Bonds4

About ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate

ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate (PubChem CID 65461769) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate
PubChem CID65461769
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCNCC1(C)C
InChIInChI=1S/C14H22N2O3/c1-4-18-13(17)11-5-8-19-12(11)9-16-7-6-15-10-14(16,2)3/h5,8,15H,4,6-7,9-10H2,1-3H3
InChIKeyRDQZZFFJPHPVOW-UHFFFAOYSA-N
XLogP1.64
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate (CID 65461769) is ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CN1CCNCC1(C)C.
What is the InChIKey of ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate?
The InChIKey is RDQZZFFJPHPVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-18-13(17)11-5-8-19-12(11)9-16-7-6-15-10-14(16,2)3/h5,8,15H,4,6-7,9-10H2,1-3H3.
What are the key properties of ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate?
ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate is sourced from PubChem (CID 65461769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).