methyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate

C11H19F3N2O2 — CID 83992606

IUPACmethyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCCC(NCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-18-10(17)4-6-16-5-2-3-9(7-16)15-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyMSPQFCZEQRUKHR-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.17
Rot. Bonds5

About methyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate

methyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate (PubChem CID 83992606) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is methyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate
PubChem CID83992606
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Namemethyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCCC(NCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-18-10(17)4-6-16-5-2-3-9(7-16)15-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyMSPQFCZEQRUKHR-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate (CID 83992606) is methyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate is COC(=O)CCN1CCCC(NCC(F)(F)F)C1.
What is the InChIKey of methyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate?
The InChIKey is MSPQFCZEQRUKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-18-10(17)4-6-16-5-2-3-9(7-16)15-8-11(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of methyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate?
methyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate has a molecular weight of 268.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate is sourced from PubChem (CID 83992606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).