1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine

C13H18F2N2 — CID 84701965

IUPAC1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine
SMILESFC(F)c1ccc(CCN2CCNCC2)cc1
InChIInChI=1S/C13H18F2N2/c14-13(15)12-3-1-11(2-4-12)5-8-17-9-6-16-7-10-17/h1-4,13,16H,5-10H2
InChIKeyIQXGEQNJEITMEW-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.07
Rot. Bonds4

About 1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine

1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine (PubChem CID 84701965) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine
PubChem CID84701965
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine
SMILESFC(F)c1ccc(CCN2CCNCC2)cc1
InChIInChI=1S/C13H18F2N2/c14-13(15)12-3-1-11(2-4-12)5-8-17-9-6-16-7-10-17/h1-4,13,16H,5-10H2
InChIKeyIQXGEQNJEITMEW-UHFFFAOYSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[4-(difluoromethoxy)phenyl]ethyl]piperazine
CID 117394054
1-[2-(4-propan-2-ylphenyl)ethyl]-1,4-diazepane
CID 82086321
2-[4-(2-piperazin-1-ylethyl)phenyl]ethanol
CID 84797085
4-[2-(1,4,7,10,13-pentazacyclopentadec-1-yl)ethyl]aniline
CID 15294221
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine
CID 117389286
1-[2-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 82255560
1-[2-(4-methylphenyl)ethyl]-1,4-diazepane
CID 82079414
1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine
CID 117389280
4-(2-piperazin-1-ylethyl)benzamide
CID 84696960
1-[2-[4-(2-methylpropoxy)phenyl]ethyl]piperazine
CID 82263292
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine (CID 84701965) is 1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine is FC(F)c1ccc(CCN2CCNCC2)cc1.
What is the InChIKey of 1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine?
The InChIKey is IQXGEQNJEITMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-13(15)12-3-1-11(2-4-12)5-8-17-9-6-16-7-10-17/h1-4,13,16H,5-10H2.
What are the key properties of 1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine?
1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine has a molecular weight of 240.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 84701965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).