1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine

C14H20F2N2 — CID 116840439

IUPAC1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine
SMILESCc1ccc(C)c(C(F)(F)CN2CCNCC2)c1
InChIInChI=1S/C14H20F2N2/c1-11-3-4-12(2)13(9-11)14(15,16)10-18-7-5-17-6-8-18/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyCGCQKLYGTWQUGX-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.30
Rot. Bonds3

About 1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine

1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine (PubChem CID 116840439) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine
PubChem CID116840439
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine
SMILESCc1ccc(C)c(C(F)(F)CN2CCNCC2)c1
InChIInChI=1S/C14H20F2N2/c1-11-3-4-12(2)13(9-11)14(15,16)10-18-7-5-17-6-8-18/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyCGCQKLYGTWQUGX-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]piperazine
CID 116840464
2-(2,5-dimethylphenyl)-1-piperazin-1-ylpropan-2-ol
CID 82296659
1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine
CID 82302000
1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
CID 21363835
2-(2,5-dimethylphenyl)-2-piperazin-1-ylpropan-1-ol
CID 61055498
1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine
CID 83855536
4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine
CID 116838786
1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine
CID 116840474
2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840108
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171178089
1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine
CID 5223642

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine (CID 116840439) is 1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine is Cc1ccc(C)c(C(F)(F)CN2CCNCC2)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine?
The InChIKey is CGCQKLYGTWQUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-11-3-4-12(2)13(9-11)14(15,16)10-18-7-5-17-6-8-18/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine?
1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine has a molecular weight of 254.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine is sourced from PubChem (CID 116840439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).