methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate

C9H14F3NO2 — CID 105482767

IUPACmethyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CN(C)CCC1C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-13-4-3-7(9(10,11)12)6(5-13)8(14)15-2/h6-7H,3-5H2,1-2H3
InChIKeyBTFWCOUJANUUTN-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.29
Rot. Bonds1

About methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate

methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate (PubChem CID 105482767) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate
PubChem CID105482767
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Namemethyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CN(C)CCC1C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-13-4-3-7(9(10,11)12)6(5-13)8(14)15-2/h6-7H,3-5H2,1-2H3
InChIKeyBTFWCOUJANUUTN-UHFFFAOYSA-N
XLogP1.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate (CID 105482767) is methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate is COC(=O)C1CN(C)CCC1C(F)(F)F.
What is the InChIKey of methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate?
The InChIKey is BTFWCOUJANUUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-13-4-3-7(9(10,11)12)6(5-13)8(14)15-2/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate?
methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate has a molecular weight of 225.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate is sourced from PubChem (CID 105482767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).