2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine

C17H26F2N2 — CID 64861149

IUPAC2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine
SMILESCC1(c2ccccc2)CN(CC(F)F)C(C(C)(C)C)CN1
InChIInChI=1S/C17H26F2N2/c1-16(2,3)14-10-20-17(4,12-21(14)11-15(18)19)13-8-6-5-7-9-13/h5-9,14-15,20H,10-12H2,1-4H3
InChIKeyOWSOOOZKOLLDHW-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.49
Rot. Bonds3

About 2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine

2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine (PubChem CID 64861149) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine
PubChem CID64861149
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC Name2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine
SMILESCC1(c2ccccc2)CN(CC(F)F)C(C(C)(C)C)CN1
InChIInChI=1S/C17H26F2N2/c1-16(2,3)14-10-20-17(4,12-21(14)11-15(18)19)13-8-6-5-7-9-13/h5-9,14-15,20H,10-12H2,1-4H3
InChIKeyOWSOOOZKOLLDHW-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine?
The IUPAC name of 2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine (CID 64861149) is 2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine?
The canonical SMILES for 2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine is CC1(c2ccccc2)CN(CC(F)F)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine?
The InChIKey is OWSOOOZKOLLDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-16(2,3)14-10-20-17(4,12-21(14)11-15(18)19)13-8-6-5-7-9-13/h5-9,14-15,20H,10-12H2,1-4H3.
What are the key properties of 2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine?
2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine has a molecular weight of 296.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine is sourced from PubChem (CID 64861149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).