2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine

C14H20F3N3 — CID 84598131

IUPAC2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(C)CN(CC(F)(F)F)CCN1Cc1ccccn1
InChIInChI=1S/C14H20F3N3/c1-13(2)10-19(11-14(15,16)17)7-8-20(13)9-12-5-3-4-6-18-12/h3-6H,7-11H2,1-2H3
InChIKeyDYZCSUDUAOAASA-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.54
Rot. Bonds3

About 2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine

2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 84598131) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID84598131
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(C)CN(CC(F)(F)F)CCN1Cc1ccccn1
InChIInChI=1S/C14H20F3N3/c1-13(2)10-19(11-14(15,16)17)7-8-20(13)9-12-5-3-4-6-18-12/h3-6H,7-11H2,1-2H3
InChIKeyDYZCSUDUAOAASA-UHFFFAOYSA-N
XLogP2.54
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 84598131) is 2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine is CC1(C)CN(CC(F)(F)F)CCN1Cc1ccccn1.
What is the InChIKey of 2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is DYZCSUDUAOAASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-13(2)10-19(11-14(15,16)17)7-8-20(13)9-12-5-3-4-6-18-12/h3-6H,7-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 287.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 84598131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).