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

C14H25F3N2O2 — CID 83992640

IUPACethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(NCC(F)(F)F)CC(C(C)C)C1
InChIInChI=1S/C14H25F3N2O2/c1-4-21-13(20)8-19-6-11(10(2)3)5-12(7-19)18-9-14(15,16)17/h10-12,18H,4-9H2,1-3H3
InChIKeyPKNWMUFBUTYYSD-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.05
Rot. Bonds6

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

ethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate (PubChem CID 83992640) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is ethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
PubChem CID83992640
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Nameethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(NCC(F)(F)F)CC(C(C)C)C1
InChIInChI=1S/C14H25F3N2O2/c1-4-21-13(20)8-19-6-11(10(2)3)5-12(7-19)18-9-14(15,16)17/h10-12,18H,4-9H2,1-3H3
InChIKeyPKNWMUFBUTYYSD-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate (CID 83992640) is ethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate is CCOC(=O)CN1CC(NCC(F)(F)F)CC(C(C)C)C1.
What is the InChIKey of ethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate?
The InChIKey is PKNWMUFBUTYYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-4-21-13(20)8-19-6-11(10(2)3)5-12(7-19)18-9-14(15,16)17/h10-12,18H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate?
ethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate has a molecular weight of 310.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 83992640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).