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

C10H17F3N2O2 — CID 126549524

IUPACmethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCOC(=O)N(CC(F)(F)F)C1CCN(C)CC1
InChIInChI=1S/C10H17F3N2O2/c1-14-5-3-8(4-6-14)15(9(16)17-2)7-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyUGOPVZDNVWZEAA-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.71
Rot. Bonds2

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

methyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 126549524) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID126549524
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Namemethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCOC(=O)N(CC(F)(F)F)C1CCN(C)CC1
InChIInChI=1S/C10H17F3N2O2/c1-14-5-3-8(4-6-14)15(9(16)17-2)7-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyUGOPVZDNVWZEAA-UHFFFAOYSA-N
XLogP1.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of methyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate (CID 126549524) is methyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for methyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for methyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate is COC(=O)N(CC(F)(F)F)C1CCN(C)CC1.
What is the InChIKey of methyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is UGOPVZDNVWZEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-14-5-3-8(4-6-14)15(9(16)17-2)7-10(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of methyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate?
methyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 254.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 126549524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).