3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine

C14H20F3N3 — CID 15229535

IUPAC3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H20F3N3/c15-14(16,17)12-3-1-4-13(11-12)20-9-7-19(8-10-20)6-2-5-18/h1,3-4,11H,2,5-10,18H2
InChIKeyDBWAVASEYCLVEP-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.18
Rot. Bonds4

About 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine

3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine (PubChem CID 15229535) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
PubChem CID15229535
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H20F3N3/c15-14(16,17)12-3-1-4-13(11-12)20-9-7-19(8-10-20)6-2-5-18/h1,3-4,11H,2,5-10,18H2
InChIKeyDBWAVASEYCLVEP-UHFFFAOYSA-N
XLogP2.18
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine (CID 15229535) is 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine is NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine?
The InChIKey is DBWAVASEYCLVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c15-14(16,17)12-3-1-4-13(11-12)20-9-7-19(8-10-20)6-2-5-18/h1,3-4,11H,2,5-10,18H2.
What are the key properties of 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine?
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine has a molecular weight of 287.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 15229535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).