1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine

C13H18F2N2 — CID 84701976

IUPAC1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine
SMILESFC(F)Cc1ccccc1CN1CCNCC1
InChIInChI=1S/C13H18F2N2/c14-13(15)9-11-3-1-2-4-12(11)10-17-7-5-16-6-8-17/h1-4,13,16H,5-10H2
InChIKeyFULHZIDSUPUJJV-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.90
Rot. Bonds4

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

1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine (PubChem CID 84701976) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine
PubChem CID84701976
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine
SMILESFC(F)Cc1ccccc1CN1CCNCC1
InChIInChI=1S/C13H18F2N2/c14-13(15)9-11-3-1-2-4-12(11)10-17-7-5-16-6-8-17/h1-4,13,16H,5-10H2
InChIKeyFULHZIDSUPUJJV-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62415674
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
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1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine
CID 23046054
1-[(2-fluorophenyl)methyl]-1,4-diazepane;hydrate;dihydrochloride
CID 47000648
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079
2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide
CID 115465423
1-[(3-bromo-2-fluorophenyl)methyl]piperazine
CID 83744163
azane;1-benzylpiperazine
CID 174866973
naphthalen-1-yl-[2-(piperazin-1-ylmethyl)phenyl]methanethiol
CID 22744873
1-[[2-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 61057074
1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
CID 84701977
1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol
CID 82292226

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine (CID 84701976) is 1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine is FC(F)Cc1ccccc1CN1CCNCC1.
What is the InChIKey of 1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine?
The InChIKey is FULHZIDSUPUJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-13(15)9-11-3-1-2-4-12(11)10-17-7-5-16-6-8-17/h1-4,13,16H,5-10H2.
What are the key properties of 1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine?
1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine has a molecular weight of 240.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 84701976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).