4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid

C14H18F3N3O4 — CID 155272504

IUPAC4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid
SMILESCOCCOc1ncc(N2CCN(C(=O)O)CC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O4/c1-23-6-7-24-12-11(14(15,16)17)8-10(9-18-12)19-2-4-20(5-3-19)13(21)22/h8-9H,2-7H2,1H3,(H,21,22)
InChIKeyUHQIZCSSLQSTIN-UHFFFAOYSA-N
MW349.31 g/mol
LogP1.93
Rot. Bonds5

About 4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid

4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 155272504) has the molecular formula C14H18F3N3O4 and a molecular weight of 349.31 g/mol. Its IUPAC name is 4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid
PubChem CID155272504
Molecular FormulaC14H18F3N3O4
Molecular Weight349.31 g/mol
Exact Mass349.12
IUPAC Name4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid
SMILESCOCCOc1ncc(N2CCN(C(=O)O)CC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O4/c1-23-6-7-24-12-11(14(15,16)17)8-10(9-18-12)19-2-4-20(5-3-19)13(21)22/h8-9H,2-7H2,1H3,(H,21,22)
InChIKeyUHQIZCSSLQSTIN-UHFFFAOYSA-N
XLogP1.93
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]azetidine-1-carboxylic acid
CID 142721359
3-(2,5-dimethylpyrrol-1-yl)-6-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 89443379
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
[3-(2-methoxyethoxy)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 55997430
4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 171778967
4-[3-(acetyloxymethyl)-4-iodo-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 175475675
4-[1-[3-(methoxymethoxy)-5-(trifluoromethyl)phenyl]indazol-5-yl]piperazine-1-carboxylic acid
CID 174185429
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 113080051
N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 146302602
4-[4-ethoxycarbonyl-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid
CID 151465294
[2-(2-methoxyethoxy)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55997456

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid (CID 155272504) is 4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid is COCCOc1ncc(N2CCN(C(=O)O)CC2)cc1C(F)(F)F.
What is the InChIKey of 4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is UHQIZCSSLQSTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O4/c1-23-6-7-24-12-11(14(15,16)17)8-10(9-18-12)19-2-4-20(5-3-19)13(21)22/h8-9H,2-7H2,1H3,(H,21,22).
What are the key properties of 4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid?
4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 349.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 155272504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).