5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine

C12H24F2N2 — CID 64849409

IUPAC5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine
SMILESCCC(C)C1CN(CC(F)F)C(C)(C)CN1
InChIInChI=1S/C12H24F2N2/c1-5-9(2)10-6-16(7-11(13)14)12(3,4)8-15-10/h9-11,15H,5-8H2,1-4H3
InChIKeyOPTHBJZJCXKDCS-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.35
Rot. Bonds4

About 5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine

5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine (PubChem CID 64849409) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine
PubChem CID64849409
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine
SMILESCCC(C)C1CN(CC(F)F)C(C)(C)CN1
InChIInChI=1S/C12H24F2N2/c1-5-9(2)10-6-16(7-11(13)14)12(3,4)8-15-10/h9-11,15H,5-8H2,1-4H3
InChIKeyOPTHBJZJCXKDCS-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80696297
1-(2,2-difluoroethyl)-5-ethyl-2,2-dimethylpiperazine
CID 64842161
5-butan-2-yl-1,2,2-trimethylpiperazine
CID 64847098
5-butan-2-yl-2,2-dimethyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64849215
5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine
CID 106733099
5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine
CID 64848829
5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64848062
2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine
CID 64840227
5-butan-2-yl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64847869
5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine
CID 65097377
5-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2-dimethylpiperazine
CID 114349591
5-butan-2-yl-1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64847095

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine (CID 64849409) is 5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine is CCC(C)C1CN(CC(F)F)C(C)(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine?
The InChIKey is OPTHBJZJCXKDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-5-9(2)10-6-16(7-11(13)14)12(3,4)8-15-10/h9-11,15H,5-8H2,1-4H3.
What are the key properties of 5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine?
5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine has a molecular weight of 234.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine is sourced from PubChem (CID 64849409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).