1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C14H25F3N2O2 — CID 103205317

IUPAC1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCCNC1CCN(C(=O)COCC(F)(F)F)CC1CC
InChIInChI=1S/C14H25F3N2O2/c1-3-6-18-12-5-7-19(8-11(12)4-2)13(20)9-21-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3
InChIKeyRQLFWYRJBIMNMX-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.19
Rot. Bonds7

About 1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103205317) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103205317
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCCNC1CCN(C(=O)COCC(F)(F)F)CC1CC
InChIInChI=1S/C14H25F3N2O2/c1-3-6-18-12-5-7-19(8-11(12)4-2)13(20)9-21-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3
InChIKeyRQLFWYRJBIMNMX-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 103205317) is 1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is CCCNC1CCN(C(=O)COCC(F)(F)F)CC1CC.
What is the InChIKey of 1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is RQLFWYRJBIMNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-3-6-18-12-5-7-19(8-11(12)4-2)13(20)9-21-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 310.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103205317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).