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

C14H20F3N3 — CID 117243889

IUPAC3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESNCC(CN1CCNCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3N3/c15-14(16,17)13-4-2-1-3-12(13)11(9-18)10-20-7-5-19-6-8-20/h1-4,11,19H,5-10,18H2
InChIKeyJDDCHIMSOXKUAY-UHFFFAOYSA-N
MW287.33 g/mol
LogP1.65
Rot. Bonds4

About 3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine

3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 117243889) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID117243889
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESNCC(CN1CCNCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3N3/c15-14(16,17)13-4-2-1-3-12(13)11(9-18)10-20-7-5-19-6-8-20/h1-4,11,19H,5-10,18H2
InChIKeyJDDCHIMSOXKUAY-UHFFFAOYSA-N
XLogP1.65
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine (CID 117243889) is 3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine is NCC(CN1CCNCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is JDDCHIMSOXKUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c15-14(16,17)13-4-2-1-3-12(13)11(9-18)10-20-7-5-19-6-8-20/h1-4,11,19H,5-10,18H2.
What are the key properties of 3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine?
3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 287.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 117243889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).