1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine

C14H20F2N2 — CID 117389280

IUPAC1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine
SMILESFC(F)Cc1cccc(CCN2CCNCC2)c1
InChIInChI=1S/C14H20F2N2/c15-14(16)11-13-3-1-2-12(10-13)4-7-18-8-5-17-6-9-18/h1-3,10,14,17H,4-9,11H2
InChIKeyIQGLONXQBUXANR-UHFFFAOYSA-N
MW254.32 g/mol
LogP1.94
Rot. Bonds5

About 1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine

1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine (PubChem CID 117389280) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine
PubChem CID117389280
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine
SMILESFC(F)Cc1cccc(CCN2CCNCC2)c1
InChIInChI=1S/C14H20F2N2/c15-14(16)11-13-3-1-2-12(10-13)4-7-18-8-5-17-6-9-18/h1-3,10,14,17H,4-9,11H2
InChIKeyIQGLONXQBUXANR-UHFFFAOYSA-N
XLogP1.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 53407154
3-(2-piperazin-1-ylethyl)aniline
CID 82071066
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CID 117372136
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine
CID 84701965
1-[2-(3-cycloheptylphenyl)ethyl]piperazine
CID 117462171
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
1-[2-[4-(difluoromethoxy)phenyl]ethyl]piperazine
CID 117394054
1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine
CID 117462174
1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine
CID 118047878
1-(2-phenylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 14869439

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine (CID 117389280) is 1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine is FC(F)Cc1cccc(CCN2CCNCC2)c1.
What is the InChIKey of 1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine?
The InChIKey is IQGLONXQBUXANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c15-14(16)11-13-3-1-2-12(10-13)4-7-18-8-5-17-6-9-18/h1-3,10,14,17H,4-9,11H2.
What are the key properties of 1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine?
1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine has a molecular weight of 254.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117389280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).