2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate

C13H24F3N3O2 — CID 60859205

IUPAC2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate
SMILESCN1CCC(N(C)CCN(C)C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O2/c1-17-6-4-11(5-7-17)18(2)8-9-19(3)12(20)21-10-13(14,15)16/h11H,4-10H2,1-3H3
InChIKeySPKCMQQHRLFPSN-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.64
Rot. Bonds5

About 2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate

2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate (PubChem CID 60859205) has the molecular formula C13H24F3N3O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate
PubChem CID60859205
Molecular FormulaC13H24F3N3O2
Molecular Weight311.35 g/mol
Exact Mass311.18
IUPAC Name2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate
SMILESCN1CCC(N(C)CCN(C)C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O2/c1-17-6-4-11(5-7-17)18(2)8-9-19(3)12(20)21-10-13(14,15)16/h11H,4-10H2,1-3H3
InChIKeySPKCMQQHRLFPSN-UHFFFAOYSA-N
XLogP1.64
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate (CID 60859205) is 2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate is CN1CCC(N(C)CCN(C)C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate?
The InChIKey is SPKCMQQHRLFPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O2/c1-17-6-4-11(5-7-17)18(2)8-9-19(3)12(20)21-10-13(14,15)16/h11H,4-10H2,1-3H3.
What are the key properties of 2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate?
2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate has a molecular weight of 311.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate is sourced from PubChem (CID 60859205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).