4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine

C14H20F3N3 — CID 140517449

IUPAC4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine
SMILESCC(C)N1CCN(Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H20F3N3/c1-11(2)19-7-9-20(10-8-19)18-13-5-3-12(4-6-13)14(15,16)17/h3-6,11,18H,7-10H2,1-2H3
InChIKeyUJLWNNGZLXRRQK-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.06
Rot. Bonds3

About 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine

4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine (PubChem CID 140517449) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine
PubChem CID140517449
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine
SMILESCC(C)N1CCN(Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H20F3N3/c1-11(2)19-7-9-20(10-8-19)18-13-5-3-12(4-6-13)14(15,16)17/h3-6,11,18H,7-10H2,1-2H3
InChIKeyUJLWNNGZLXRRQK-UHFFFAOYSA-N
XLogP3.06
TPSA18.51 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24945761
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CID 64534290
1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]azetidine
CID 166468953
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
4-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 10277567
N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline
CID 62646330
1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 61208893
N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 87016290
1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one
CID 43084708
4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43104527
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 111114019
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8725348

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine?
The IUPAC name of 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine (CID 140517449) is 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine?
The canonical SMILES for 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine is CC(C)N1CCN(Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine?
The InChIKey is UJLWNNGZLXRRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-11(2)19-7-9-20(10-8-19)18-13-5-3-12(4-6-13)14(15,16)17/h3-6,11,18H,7-10H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine?
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine has a molecular weight of 287.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazin-1-amine is sourced from PubChem (CID 140517449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).