(2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid

C10H16F4N2O4 — CID 175152105

IUPAC(2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCOC(F)F)C[C@H]1COC(F)F
InChIInChI=1S/C10H16F4N2O4/c11-8(12)19-4-3-15-1-2-16(10(17)18)7(5-15)6-20-9(13)14/h7-9H,1-6H2,(H,17,18)/t7-/m0/s1
InChIKeyKJRODMAABRBLSY-ZETCQYMHSA-N
MW304.24 g/mol
LogP1.13
Rot. Bonds7

About (2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid

(2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid (PubChem CID 175152105) has the molecular formula C10H16F4N2O4 and a molecular weight of 304.24 g/mol. Its IUPAC name is (2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid
PubChem CID175152105
Molecular FormulaC10H16F4N2O4
Molecular Weight304.24 g/mol
Exact Mass304.10
IUPAC Name(2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCOC(F)F)C[C@H]1COC(F)F
InChIInChI=1S/C10H16F4N2O4/c11-8(12)19-4-3-15-1-2-16(10(17)18)7(5-15)6-20-9(13)14/h7-9H,1-6H2,(H,17,18)/t7-/m0/s1
InChIKeyKJRODMAABRBLSY-ZETCQYMHSA-N
XLogP1.13
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid
CID 175156497
2-[4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 175148721
(2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 175152885
tert-butyl 2-(difluoromethoxymethyl)-4-[[2-(difluoromethoxy)spiro[3.3]heptan-6-yl]methyl]piperazine-1-carboxylate
CID 175155253
2-[2-(difluoromethoxymethyl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 175148006
(2S)-2-(difluoromethoxymethyl)-5-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid
CID 166644106
2-[(2S)-4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 156774371
(2S)-4-benzyl-2-(2-hydroxypropyl)piperazine-1-carboxylic acid
CID 71268527
4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid
CID 68651622
(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
CID 67131699
4-O-benzyl 1-O-tert-butyl 2-(difluoromethoxymethyl)piperazine-1,4-dicarboxylate
CID 166644193
4-(2-aminoethyl)-2-methylpiperazine-1-carboxylic acid
CID 67016354

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid?
The IUPAC name of (2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid (CID 175152105) is (2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for (2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid?
The canonical SMILES for (2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(CCOC(F)F)C[C@H]1COC(F)F.
What is the InChIKey of (2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid?
The InChIKey is KJRODMAABRBLSY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16F4N2O4/c11-8(12)19-4-3-15-1-2-16(10(17)18)7(5-15)6-20-9(13)14/h7-9H,1-6H2,(H,17,18)/t7-/m0/s1.
What are the key properties of (2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid?
(2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid has a molecular weight of 304.24 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(difluoromethoxy)ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 175152105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).