methyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate

C9H14F3NO2 — CID 42544309

IUPACmethyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-15-8(14)6-13-4-2-7(3-5-13)9(10,11)12/h7H,2-6H2,1H3
InChIKeyLYTGRAPHPAHXSU-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.43
Rot. Bonds2

About methyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate

methyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate (PubChem CID 42544309) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is methyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate
PubChem CID42544309
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Namemethyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-15-8(14)6-13-4-2-7(3-5-13)9(10,11)12/h7H,2-6H2,1H3
InChIKeyLYTGRAPHPAHXSU-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate (CID 42544309) is methyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate is COC(=O)CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of methyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate?
The InChIKey is LYTGRAPHPAHXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-15-8(14)6-13-4-2-7(3-5-13)9(10,11)12/h7H,2-6H2,1H3.
What are the key properties of methyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate?
methyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate has a molecular weight of 225.21 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(trifluoromethyl)piperidin-1-yl]acetate is sourced from PubChem (CID 42544309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).