(4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate

C9H14F3NO3 — CID 69043204

IUPAC(4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESCOC1(C)CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c1-8(15-2)3-5-13(6-4-8)16-7(14)9(10,11)12/h3-6H2,1-2H3
InChIKeyDRBNNWLAUGWAJM-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.51
Rot. Bonds2

About (4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate

(4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 69043204) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is (4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
PubChem CID69043204
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name(4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESCOC1(C)CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c1-8(15-2)3-5-13(6-4-8)16-7(14)9(10,11)12/h3-6H2,1-2H3
InChIKeyDRBNNWLAUGWAJM-UHFFFAOYSA-N
XLogP1.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate (CID 69043204) is (4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate is COC1(C)CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of (4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is DRBNNWLAUGWAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-8(15-2)3-5-13(6-4-8)16-7(14)9(10,11)12/h3-6H2,1-2H3.
What are the key properties of (4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate?
(4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 241.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 69043204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).