1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine

C17H24F4N2 — CID 142321618

IUPAC1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCC(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H24F4N2/c1-13(2)14-3-4-15(16(11-14)17(19,20)21)12-23-9-7-22(6-5-18)8-10-23/h3-4,11,13H,5-10,12H2,1-2H3
InChIKeyMBVUAUKLTFSWOW-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.92
Rot. Bonds5

About 1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine

1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 142321618) has the molecular formula C17H24F4N2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID142321618
Molecular FormulaC17H24F4N2
Molecular Weight332.38 g/mol
Exact Mass332.19
IUPAC Name1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCC(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H24F4N2/c1-13(2)14-3-4-15(16(11-14)17(19,20)21)12-23-9-7-22(6-5-18)8-10-23/h3-4,11,13H,5-10,12H2,1-2H3
InChIKeyMBVUAUKLTFSWOW-UHFFFAOYSA-N
XLogP3.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-butan-2-yl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine
CID 152876391
2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 71136901
4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenol
CID 117219397
1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine
CID 153025858
CID 163917926
CID 163917926
1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine
CID 145147205
methoxy-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]azanium
CID 162434873
N-methoxy-4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 162434874
1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine
CID 130184584
[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl] carbamate
CID 174951749
4-[(3,4-dimethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 81116639
4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenol
CID 117219356

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine (CID 142321618) is 1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine is CC(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is MBVUAUKLTFSWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F4N2/c1-13(2)14-3-4-15(16(11-14)17(19,20)21)12-23-9-7-22(6-5-18)8-10-23/h3-4,11,13H,5-10,12H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine?
1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 332.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 142321618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).