3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine

C13H18F3N3 — CID 80505348

IUPAC3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
SMILESCC(C)C1CN(c2ccc(C(F)(F)F)nc2)CCN1
InChIInChI=1S/C13H18F3N3/c1-9(2)11-8-19(6-5-17-11)10-3-4-12(18-7-10)13(14,15)16/h3-4,7,9,11,17H,5-6,8H2,1-2H3
InChIKeyBJPXULJYRSTFDM-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.53
Rot. Bonds2

About 3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine

3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine (PubChem CID 80505348) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine.

Molecular Properties

Compound Name3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
PubChem CID80505348
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
SMILESCC(C)C1CN(c2ccc(C(F)(F)F)nc2)CCN1
InChIInChI=1S/C13H18F3N3/c1-9(2)11-8-19(6-5-17-11)10-3-4-12(18-7-10)13(14,15)16/h3-4,7,9,11,17H,5-6,8H2,1-2H3
InChIKeyBJPXULJYRSTFDM-UHFFFAOYSA-N
XLogP2.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine?
The IUPAC name of 3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine (CID 80505348) is 3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine.
What is the SMILES notation for 3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine?
The canonical SMILES for 3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine is CC(C)C1CN(c2ccc(C(F)(F)F)nc2)CCN1.
What is the InChIKey of 3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine?
The InChIKey is BJPXULJYRSTFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-9(2)11-8-19(6-5-17-11)10-3-4-12(18-7-10)13(14,15)16/h3-4,7,9,11,17H,5-6,8H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine?
3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine has a molecular weight of 273.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine is sourced from PubChem (CID 80505348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).