methyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate

C14H26N2O2 — CID 103260580

IUPACmethyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate
SMILESCCC(=CCNC1CCN(C)C(C)C1)C(=O)OC
InChIInChI=1S/C14H26N2O2/c1-5-12(14(17)18-4)6-8-15-13-7-9-16(3)11(2)10-13/h6,11,13,15H,5,7-10H2,1-4H3
InChIKeyICGVTURSWPUDND-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.57
Rot. Bonds5

About methyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate

methyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate (PubChem CID 103260580) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate
PubChem CID103260580
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate
SMILESCCC(=CCNC1CCN(C)C(C)C1)C(=O)OC
InChIInChI=1S/C14H26N2O2/c1-5-12(14(17)18-4)6-8-15-13-7-9-16(3)11(2)10-13/h6,11,13,15H,5,7-10H2,1-4H3
InChIKeyICGVTURSWPUDND-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate?
The IUPAC name of methyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate (CID 103260580) is methyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate.
What is the SMILES notation for methyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate?
The canonical SMILES for methyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate is CCC(=CCNC1CCN(C)C(C)C1)C(=O)OC.
What is the InChIKey of methyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate?
The InChIKey is ICGVTURSWPUDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-12(14(17)18-4)6-8-15-13-7-9-16(3)11(2)10-13/h6,11,13,15H,5,7-10H2,1-4H3.
What are the key properties of methyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate?
methyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate has a molecular weight of 254.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1,2-dimethylpiperidin-4-yl)amino]-2-ethylbut-2-enoate is sourced from PubChem (CID 103260580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).