3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine

C14H19F3N2 — CID 64924394

IUPAC3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCCC1CN(c2cccc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C14H19F3N2/c1-2-4-12-10-19(8-7-18-12)13-6-3-5-11(9-13)14(15,16)17/h3,5-6,9,12,18H,2,4,7-8,10H2,1H3
InChIKeyOFPBLNVFJAGYQI-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.28
Rot. Bonds3

About 3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine

3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 64924394) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID64924394
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCCC1CN(c2cccc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C14H19F3N2/c1-2-4-12-10-19(8-7-18-12)13-6-3-5-11(9-13)14(15,16)17/h3,5-6,9,12,18H,2,4,7-8,10H2,1H3
InChIKeyOFPBLNVFJAGYQI-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine (CID 64924394) is 3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine is CCCC1CN(c2cccc(C(F)(F)F)c2)CCN1.
What is the InChIKey of 3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is OFPBLNVFJAGYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-2-4-12-10-19(8-7-18-12)13-6-3-5-11(9-13)14(15,16)17/h3,5-6,9,12,18H,2,4,7-8,10H2,1H3.
What are the key properties of 3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine?
3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 272.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 64924394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).