ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate

C16H26N2O3 — CID 103352925

IUPACethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCC(CC)CC1CN
InChIInChI=1S/C16H26N2O3/c1-3-12-5-7-18(13(9-12)10-17)11-15-14(6-8-21-15)16(19)20-4-2/h6,8,12-13H,3-5,7,9-11,17H2,1-2H3
InChIKeyJQCSRVRNKHPFQV-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.41
Rot. Bonds6

About ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate

ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate (PubChem CID 103352925) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate
PubChem CID103352925
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nameethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCC(CC)CC1CN
InChIInChI=1S/C16H26N2O3/c1-3-12-5-7-18(13(9-12)10-17)11-15-14(6-8-21-15)16(19)20-4-2/h6,8,12-13H,3-5,7,9-11,17H2,1-2H3
InChIKeyJQCSRVRNKHPFQV-UHFFFAOYSA-N
XLogP2.41
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate (CID 103352925) is ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CN1CCC(CC)CC1CN.
What is the InChIKey of ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate?
The InChIKey is JQCSRVRNKHPFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-12-5-7-18(13(9-12)10-17)11-15-14(6-8-21-15)16(19)20-4-2/h6,8,12-13H,3-5,7,9-11,17H2,1-2H3.
What are the key properties of ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate?
ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 103352925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).