[4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate

C12H20F3NO3 — CID 68983025

IUPAC[4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOC1(CC(C)C)CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-9(2)8-11(18-3)4-6-16(7-5-11)19-10(17)12(13,14)15/h9H,4-8H2,1-3H3
InChIKeyYBDJTWRABCSHHT-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.53
Rot. Bonds4

About [4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate

[4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 68983025) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is [4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID68983025
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name[4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOC1(CC(C)C)CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-9(2)8-11(18-3)4-6-16(7-5-11)19-10(17)12(13,14)15/h9H,4-8H2,1-3H3
InChIKeyYBDJTWRABCSHHT-UHFFFAOYSA-N
XLogP2.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate (CID 68983025) is [4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate is COC1(CC(C)C)CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of [4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is YBDJTWRABCSHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-9(2)8-11(18-3)4-6-16(7-5-11)19-10(17)12(13,14)15/h9H,4-8H2,1-3H3.
What are the key properties of [4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 283.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 68983025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).