4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline

C14H20F3N3 — CID 60925353

IUPAC4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline
SMILESCCCN1CCN(c2ccc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H20F3N3/c1-2-5-19-6-8-20(9-7-19)13-4-3-11(18)10-12(13)14(15,16)17/h3-4,10H,2,5-9,18H2,1H3
InChIKeyUEFROCGSVJRKPB-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.82
Rot. Bonds3

About 4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline

4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline (PubChem CID 60925353) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline
PubChem CID60925353
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline
SMILESCCCN1CCN(c2ccc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H20F3N3/c1-2-5-19-6-8-20(9-7-19)13-4-3-11(18)10-12(13)14(15,16)17/h3-4,10H,2,5-9,18H2,1H3
InChIKeyUEFROCGSVJRKPB-UHFFFAOYSA-N
XLogP2.82
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-(trifluoromethyl)aniline
CID 59864170
2-[4-[4-amino-2-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]ethanol
CID 107213915
1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine
CID 20770576
4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline
CID 61421048
4-(4-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)aniline
CID 61440415
4-piperazin-1-yl-3-(trifluoromethyl)aniline;hydrochloride
CID 71539599
4-methoxy-3-(4-propylpiperazin-1-yl)aniline
CID 166926125
[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 79016220
1-(4-amino-2-fluorophenyl)-N-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 166999975
4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 133328095
3-fluoro-4-[4-(2-fluoroethyl)piperazin-1-yl]aniline
CID 58377296
1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine
CID 23540082

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline (CID 60925353) is 4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline is CCCN1CCN(c2ccc(N)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline?
The InChIKey is UEFROCGSVJRKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-2-5-19-6-8-20(9-7-19)13-4-3-11(18)10-12(13)14(15,16)17/h3-4,10H,2,5-9,18H2,1H3.
What are the key properties of 4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline?
4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline has a molecular weight of 287.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 60925353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).