2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate

C11H19F3N2O2 — CID 50987791

IUPAC2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate
SMILESCC1CCCCN1CCNC(=O)OCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-9-4-2-3-6-16(9)7-5-15-10(17)18-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyGYMHSESFPTUKCF-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.15
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate

2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate (PubChem CID 50987791) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate
PubChem CID50987791
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate
SMILESCC1CCCCN1CCNC(=O)OCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-9-4-2-3-6-16(9)7-5-15-10(17)18-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyGYMHSESFPTUKCF-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate (CID 50987791) is 2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate is CC1CCCCN1CCNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate?
The InChIKey is GYMHSESFPTUKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-9-4-2-3-6-16(9)7-5-15-10(17)18-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17).
What are the key properties of 2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate has a molecular weight of 268.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 50987791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).