methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate

C9H15F3N2O2 — CID 43604140

IUPACmethyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCOC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C9H15F3N2O2/c1-16-8(15)14(6-9(10,11)12)7-2-4-13-5-3-7/h7,13H,2-6H2,1H3
InChIKeyLWLQQTOXBQCIMT-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.37
Rot. Bonds2

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

methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 43604140) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Namemethyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID43604140
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Namemethyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCOC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C9H15F3N2O2/c1-16-8(15)14(6-9(10,11)12)7-2-4-13-5-3-7/h7,13H,2-6H2,1H3
InChIKeyLWLQQTOXBQCIMT-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
Tert-butyl 4-[(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 39870957
2,2,2-trifluoroethyl N-(1-acetylpiperidin-4-yl)carbamate
CID 52908156
Methyl 4-aminopiperidine-1-carboxylate
CID 28377655
4-(2,2-Difluoro-ethylamino)-piperidine-1-carboxylic acid tert-butyl ester
CID 45158821
Methyl 4-aminopiperidine-1-carboxylate hydrochloride
CID 53256203
tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
CID 56932105
t-Butyl (4R)-4-amino-3,3-difluoropiperidine-1-carboxylate
CID 86333108
tert-Butyl 4-((trifluoromethyl)amino)piperidine-1-carboxylate
CID 71629851
Methyl N-(piperidin-4-yl)carbamate
CID 15676960
Ethyl N-methyl-N-(piperidin-4-YL)carbamate
CID 19761240
Methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 75500546

Frequently Asked Questions

What is the IUPAC name of methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate (CID 43604140) is methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate is COC(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is LWLQQTOXBQCIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-16-8(15)14(6-9(10,11)12)7-2-4-13-5-3-7/h7,13H,2-6H2,1H3.
What are the key properties of methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate?
methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 240.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 43604140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).