(2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid

C8H15FN2O3 — CID 174409479

IUPAC(2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid
SMILESCC[C@@]1(OCF)CNCCN1C(=O)O
InChIInChI=1S/C8H15FN2O3/c1-2-8(14-6-9)5-10-3-4-11(8)7(12)13/h10H,2-6H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyOQTMVSYXAXNJFU-MRVPVSSYSA-N
MW206.22 g/mol
LogP0.62
Rot. Bonds3

About (2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid

(2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid (PubChem CID 174409479) has the molecular formula C8H15FN2O3 and a molecular weight of 206.22 g/mol. Its IUPAC name is (2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid
PubChem CID174409479
Molecular FormulaC8H15FN2O3
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name(2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid
SMILESCC[C@@]1(OCF)CNCCN1C(=O)O
InChIInChI=1S/C8H15FN2O3/c1-2-8(14-6-9)5-10-3-4-11(8)7(12)13/h10H,2-6H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyOQTMVSYXAXNJFU-MRVPVSSYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid
CID 175892902
[2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate
CID 154651460
2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 77277312
(2S)-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 23568516
2-tert-butyl-2-iodopiperazine-1-carboxylic acid
CID 67738141
2-cyclohexyl-1-(2,2-dimethylpiperazin-1-yl)ethanone
CID 65463150
2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone
CID 79001733
3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate
CID 141044506
2,2-diethyl-1-methylpiperazine
CID 18770859
2,2-dimethyl-N-propylpiperazine-1-carboxamide
CID 65460942
1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 65461132
2-(hydroxymethyl)piperazine-1,2-dicarboxamide
CID 141020073

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid?
The IUPAC name of (2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid (CID 174409479) is (2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid?
The canonical SMILES for (2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid is CC[C@@]1(OCF)CNCCN1C(=O)O.
What is the InChIKey of (2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid?
The InChIKey is OQTMVSYXAXNJFU-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15FN2O3/c1-2-8(14-6-9)5-10-3-4-11(8)7(12)13/h10H,2-6H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid?
(2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid has a molecular weight of 206.22 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid is sourced from PubChem (CID 174409479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).