2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine

C15H14ClF3N4O — CID 141414233

IUPAC2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Oc2ccc(N3CCNCC3)cc2Cl)n1
InChIInChI=1S/C15H14ClF3N4O/c16-11-9-10(23-7-5-20-6-8-23)1-2-12(11)24-14-21-4-3-13(22-14)15(17,18)19/h1-4,9,20H,5-8H2
InChIKeySBBWQGWVBVADEY-UHFFFAOYSA-N
MW358.75 g/mol
LogP3.35
Rot. Bonds3

About 2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine

2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine (PubChem CID 141414233) has the molecular formula C15H14ClF3N4O and a molecular weight of 358.75 g/mol. Its IUPAC name is 2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine
PubChem CID141414233
Molecular FormulaC15H14ClF3N4O
Molecular Weight358.75 g/mol
Exact Mass358.08
IUPAC Name2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Oc2ccc(N3CCNCC3)cc2Cl)n1
InChIInChI=1S/C15H14ClF3N4O/c16-11-9-10(23-7-5-20-6-8-23)1-2-12(11)24-14-21-4-3-13(22-14)15(17,18)19/h1-4,9,20H,5-8H2
InChIKeySBBWQGWVBVADEY-UHFFFAOYSA-N
XLogP3.35
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
CID 154825576
2-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
CID 141414222
2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine
CID 64584499
1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane
CID 143061676
1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride
CID 86618922
3-[4-[4-[3-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 118499080
2-chloro-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzoic acid
CID 106502835
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133438923
1-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 123919378
2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine
CID 133384156
5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine
CID 11514685
dichloroosmium;bis(1-[2-(4-piperazin-1-yl-2-pyridinyl)-4-pyridinyl]piperazine)
CID 144800267

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine (CID 141414233) is 2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(Oc2ccc(N3CCNCC3)cc2Cl)n1.
What is the InChIKey of 2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine?
The InChIKey is SBBWQGWVBVADEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O/c16-11-9-10(23-7-5-20-6-8-23)1-2-12(11)24-14-21-4-3-13(22-14)15(17,18)19/h1-4,9,20H,5-8H2.
What are the key properties of 2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine?
2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine has a molecular weight of 358.75 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 141414233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).