2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine

C17H26F2N2 — CID 64839540

IUPAC2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2cc(F)ccc2F)C(C(C)(C)C)CN1
InChIInChI=1S/C17H26F2N2/c1-16(2,3)15-9-20-17(4,5)11-21(15)10-12-8-13(18)6-7-14(12)19/h6-8,15,20H,9-11H2,1-5H3
InChIKeyNRZBGZKOLQXVGQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.56
Rot. Bonds2

About 2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine

2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine (PubChem CID 64839540) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
PubChem CID64839540
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC Name2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2cc(F)ccc2F)C(C(C)(C)C)CN1
InChIInChI=1S/C17H26F2N2/c1-16(2,3)15-9-20-17(4,5)11-21(15)10-12-8-13(18)6-7-14(12)19/h6-8,15,20H,9-11H2,1-5H3
InChIKeyNRZBGZKOLQXVGQ-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-[(2-chloro-4-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839722
1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine
CID 64839735
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839733
1-benzyl-2-tert-butyl-5,5-dimethylpiperazine
CID 64839732
1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 105375695
2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64840094
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837944
2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine
CID 65317510
1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841386
2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 82925014
2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64837932
2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 115273206

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine?
The IUPAC name of 2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine (CID 64839540) is 2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine?
The canonical SMILES for 2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine is CC1(C)CN(Cc2cc(F)ccc2F)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine?
The InChIKey is NRZBGZKOLQXVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-16(2,3)15-9-20-17(4,5)11-21(15)10-12-8-13(18)6-7-14(12)19/h6-8,15,20H,9-11H2,1-5H3.
What are the key properties of 2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine?
2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine has a molecular weight of 296.40 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine is sourced from PubChem (CID 64839540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).