1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine

C15H22F2N2 — CID 82305165

IUPAC1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine
SMILESCC(C)(Cc1cc(F)ccc1F)CN1CCNCC1
InChIInChI=1S/C15H22F2N2/c1-15(2,11-19-7-5-18-6-8-19)10-12-9-13(16)3-4-14(12)17/h3-4,9,18H,5-8,10-11H2,1-2H3
InChIKeyFRHWYWHCNDMXJL-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.44
Rot. Bonds4

About 1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine

1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine (PubChem CID 82305165) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine.

Molecular Properties

Compound Name1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine
PubChem CID82305165
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine
SMILESCC(C)(Cc1cc(F)ccc1F)CN1CCNCC1
InChIInChI=1S/C15H22F2N2/c1-15(2,11-19-7-5-18-6-8-19)10-12-9-13(16)3-4-14(12)17/h3-4,9,18H,5-8,10-11H2,1-2H3
InChIKeyFRHWYWHCNDMXJL-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine?
The IUPAC name of 1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine (CID 82305165) is 1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine.
What is the SMILES notation for 1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine?
The canonical SMILES for 1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine is CC(C)(Cc1cc(F)ccc1F)CN1CCNCC1.
What is the InChIKey of 1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine?
The InChIKey is FRHWYWHCNDMXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-15(2,11-19-7-5-18-6-8-19)10-12-9-13(16)3-4-14(12)17/h3-4,9,18H,5-8,10-11H2,1-2H3.
What are the key properties of 1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine?
1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine has a molecular weight of 268.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine is sourced from PubChem (CID 82305165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).