4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid

C19H19F3N2O3 — CID 67151233

IUPAC4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(Cc2cccc(Oc3ccc(C(F)(F)F)cc3)c2)CC1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)15-4-6-16(7-5-15)27-17-3-1-2-14(12-17)13-23-8-10-24(11-9-23)18(25)26/h1-7,12H,8-11,13H2,(H,25,26)
InChIKeyYZZNGLNWDSHORP-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.29
Rot. Bonds4

About 4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid

4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid (PubChem CID 67151233) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid
PubChem CID67151233
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(Cc2cccc(Oc3ccc(C(F)(F)F)cc3)c2)CC1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)15-4-6-16(7-5-15)27-17-3-1-2-14(12-17)13-23-8-10-24(11-9-23)18(25)26/h1-7,12H,8-11,13H2,(H,25,26)
InChIKeyYZZNGLNWDSHORP-UHFFFAOYSA-N
XLogP4.29
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid
CID 68722428
4-[[3-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid
CID 142760380
4-[[3-(3,4-difluorophenoxy)phenyl]methyl]piperazine-1-carboxylic acid
CID 142760370
4-[[3-(3,5-difluorophenoxy)phenyl]methyl]piperazine-1-carboxylic acid
CID 142760368
4-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxamide
CID 154014977
4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 68724845
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
9-[[3-(4-chlorophenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 67535423
2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 2878469
1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]-2-phenylethanone
CID 59140034
2,2,2-trifluoro-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 19329601
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55361222

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid (CID 67151233) is 4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(Cc2cccc(Oc3ccc(C(F)(F)F)cc3)c2)CC1.
What is the InChIKey of 4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid?
The InChIKey is YZZNGLNWDSHORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-19(21,22)15-4-6-16(7-5-15)27-17-3-1-2-14(12-17)13-23-8-10-24(11-9-23)18(25)26/h1-7,12H,8-11,13H2,(H,25,26).
What are the key properties of 4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid?
4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid has a molecular weight of 380.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 67151233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).