ethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate

C14H25F3N2O2 — CID 83992639

IUPACethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
SMILESCCCC1CC(NCC(F)(F)F)CN(CC(=O)OCC)C1
InChIInChI=1S/C14H25F3N2O2/c1-3-5-11-6-12(18-10-14(15,16)17)8-19(7-11)9-13(20)21-4-2/h11-12,18H,3-10H2,1-2H3
InChIKeyIWXXZURXIDTXOM-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.19
Rot. Bonds7

About ethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate

ethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate (PubChem CID 83992639) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is ethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
PubChem CID83992639
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Nameethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
SMILESCCCC1CC(NCC(F)(F)F)CN(CC(=O)OCC)C1
InChIInChI=1S/C14H25F3N2O2/c1-3-5-11-6-12(18-10-14(15,16)17)8-19(7-11)9-13(20)21-4-2/h11-12,18H,3-10H2,1-2H3
InChIKeyIWXXZURXIDTXOM-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate (CID 83992639) is ethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate is CCCC1CC(NCC(F)(F)F)CN(CC(=O)OCC)C1.
What is the InChIKey of ethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate?
The InChIKey is IWXXZURXIDTXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-3-5-11-6-12(18-10-14(15,16)17)8-19(7-11)9-13(20)21-4-2/h11-12,18H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate?
ethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate has a molecular weight of 310.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 83992639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).