4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid

C10H15F3N2O4 — CID 126511698

IUPAC4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
SMILESCOC(=O)N(CC(F)(F)F)C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H15F3N2O4/c1-19-9(18)15(6-10(11,12)13)7-2-4-14(5-3-7)8(16)17/h7H,2-6H2,1H3,(H,16,17)
InChIKeyIVKVBLRUMBTDSI-UHFFFAOYSA-N
MW284.23 g/mol
LogP1.76
Rot. Bonds2

About 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid

4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid (PubChem CID 126511698) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
PubChem CID126511698
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
SMILESCOC(=O)N(CC(F)(F)F)C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H15F3N2O4/c1-19-9(18)15(6-10(11,12)13)7-2-4-14(5-3-7)8(16)17/h7H,2-6H2,1H3,(H,16,17)
InChIKeyIVKVBLRUMBTDSI-UHFFFAOYSA-N
XLogP1.76
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,4-Trifluoro-6-methylpiperidine-1-carboxylic acid
CID 67250173
(1-Ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid
CID 68804194
1-Fluorobutyl-(1-propan-2-ylpiperidin-4-yl)carbamic acid
CID 68805505
[2-(Fluoromethyl)-1-methylpiperidin-4-yl]-methylcarbamic acid
CID 68841153
4-[2-Methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
CID 69372383
4-[2-Methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 87801073
4-[Cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
CID 126511683
Tert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 126511737
4-[2-Methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
CID 126511754
4-(3,3-Difluoroazetidin-1-yl)piperidine-1-carboxylic acid
CID 126519345
4-[Ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
CID 126521918
methyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate
CID 126549524

Frequently Asked Questions

What is the IUPAC name of 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid (CID 126511698) is 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid is COC(=O)N(CC(F)(F)F)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
The InChIKey is IVKVBLRUMBTDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-19-9(18)15(6-10(11,12)13)7-2-4-14(5-3-7)8(16)17/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 126511698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).