5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine

C15H22F3N3 — CID 82794702

IUPAC5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
SMILESCC(C)C1CNC(C)(C)CN1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H22F3N3/c1-10(2)12-8-20-14(3,4)9-21(12)11-5-6-13(19-7-11)15(16,17)18/h5-7,10,12,20H,8-9H2,1-4H3
InChIKeyLESTUHLCQSDJDE-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.31
Rot. Bonds2

About 5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine

5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine (PubChem CID 82794702) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine.

Molecular Properties

Compound Name5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
PubChem CID82794702
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
SMILESCC(C)C1CNC(C)(C)CN1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H22F3N3/c1-10(2)12-8-20-14(3,4)9-21(12)11-5-6-13(19-7-11)15(16,17)18/h5-7,10,12,20H,8-9H2,1-4H3
InChIKeyLESTUHLCQSDJDE-UHFFFAOYSA-N
XLogP3.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine?
The IUPAC name of 5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine (CID 82794702) is 5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine.
What is the SMILES notation for 5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine?
The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine is CC(C)C1CNC(C)(C)CN1c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine?
The InChIKey is LESTUHLCQSDJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-10(2)12-8-20-14(3,4)9-21(12)11-5-6-13(19-7-11)15(16,17)18/h5-7,10,12,20H,8-9H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine?
5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine has a molecular weight of 301.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine is sourced from PubChem (CID 82794702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).