ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate

C11H19F3N2O2 — CID 112543642

IUPACethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CC(F)(F)F)CN(C)C1
InChIInChI=1S/C11H19F3N2O2/c1-3-18-10(17)15-9-4-8(5-11(12,13)14)6-16(2)7-9/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeyZOXYBNWGNGTVBU-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.01
Rot. Bonds3

About ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate

ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate (PubChem CID 112543642) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
PubChem CID112543642
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Nameethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CC(F)(F)F)CN(C)C1
InChIInChI=1S/C11H19F3N2O2/c1-3-18-10(17)15-9-4-8(5-11(12,13)14)6-16(2)7-9/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeyZOXYBNWGNGTVBU-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[1-acetyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543848
ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
CID 112543627
methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543603
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543
ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543950
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate
CID 112544906
ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
CID 112543729
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
ethyl N-(1-methylpiperidin-4-yl)carbamate
CID 58960911
ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544185

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate (CID 112543642) is ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CC(CC(F)(F)F)CN(C)C1.
What is the InChIKey of ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate?
The InChIKey is ZOXYBNWGNGTVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-3-18-10(17)15-9-4-8(5-11(12,13)14)6-16(2)7-9/h8-9H,3-7H2,1-2H3,(H,15,17).
What are the key properties of ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate?
ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate has a molecular weight of 268.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).