2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate

C12H21F3N2O2 — CID 65168770

IUPAC2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate
SMILESCC(C)N1CCC(N(C)C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-9(2)17-6-4-10(5-7-17)16(3)11(18)19-8-12(13,14)15/h9-10H,4-8H2,1-3H3
InChIKeyRGQLLZDJPBCSJJ-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.49
Rot. Bonds3

About 2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate

2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate (PubChem CID 65168770) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate
PubChem CID65168770
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate
SMILESCC(C)N1CCC(N(C)C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-9(2)17-6-4-10(5-7-17)16(3)11(18)19-8-12(13,14)15/h9-10H,4-8H2,1-3H3
InChIKeyRGQLLZDJPBCSJJ-UHFFFAOYSA-N
XLogP2.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate (CID 65168770) is 2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate is CC(C)N1CCC(N(C)C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The InChIKey is RGQLLZDJPBCSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9(2)17-6-4-10(5-7-17)16(3)11(18)19-8-12(13,14)15/h9-10H,4-8H2,1-3H3.
What are the key properties of 2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate?
2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate has a molecular weight of 282.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 65168770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).