1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine

C14H20F3N3 — CID 123756396

IUPAC1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine
SMILESCC(C)(C)N1CCN(c2cncc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H20F3N3/c1-13(2,3)20-6-4-19(5-7-20)12-8-11(9-18-10-12)14(15,16)17/h8-10H,4-7H2,1-3H3
InChIKeyMAJZIEZOBJIUSZ-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.02
Rot. Bonds1

About 1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine

1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine (PubChem CID 123756396) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine
PubChem CID123756396
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine
SMILESCC(C)(C)N1CCN(c2cncc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H20F3N3/c1-13(2,3)20-6-4-19(5-7-20)12-8-11(9-18-10-12)14(15,16)17/h8-10H,4-7H2,1-3H3
InChIKeyMAJZIEZOBJIUSZ-UHFFFAOYSA-N
XLogP3.02
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593
1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine
CID 58563498
3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 133059610
1-tert-butyl-4-(3-tert-butylphenyl)piperazine
CID 66600668
1-tert-butyl-4-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 130454920
1-tert-butyl-4-(4-tert-butylphenyl)piperazine
CID 59476465
1-tert-butyl-4-(2-chloro-4-pyridinyl)piperazine
CID 103756521
tert-butyl N-[(3R)-3-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]carbamate
CID 153395139
4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747410
1-tert-butyl-4-(6-chloropyrazin-2-yl)-1,4-diazepane
CID 56805156
4-(4-tert-butylpiperazin-1-yl)-6-chloro-2-(trifluoromethyl)pyrimidine
CID 106767317
4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 175753798

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine (CID 123756396) is 1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine is CC(C)(C)N1CCN(c2cncc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine?
The InChIKey is MAJZIEZOBJIUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-13(2,3)20-6-4-19(5-7-20)12-8-11(9-18-10-12)14(15,16)17/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine?
1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine has a molecular weight of 287.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine is sourced from PubChem (CID 123756396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).