1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine

C12H15F3N2O — CID 118310188

IUPAC1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine
SMILESFc1cc(OC(F)F)ccc1CN1CCNCC1
InChIInChI=1S/C12H15F3N2O/c13-11-7-10(18-12(14)15)2-1-9(11)8-17-5-3-16-4-6-17/h1-2,7,12,16H,3-6,8H2
InChIKeyBZHDRCJZFFNZEE-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.83
Rot. Bonds4

About 1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine

1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine (PubChem CID 118310188) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine
PubChem CID118310188
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine
SMILESFc1cc(OC(F)F)ccc1CN1CCNCC1
InChIInChI=1S/C12H15F3N2O/c13-11-7-10(18-12(14)15)2-1-9(11)8-17-5-3-16-4-6-17/h1-2,7,12,16H,3-6,8H2
InChIKeyBZHDRCJZFFNZEE-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride
CID 67328025
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 43162436
1-[2-[4-(difluoromethoxy)phenyl]ethyl]piperazine
CID 117394054
N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine
CID 174896777
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
CID 102879444
1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine
CID 23046054
3-[4-(difluoromethoxy)-2-fluorophenyl]propanal
CID 134621994
1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride
CID 67327803
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
1-[(3,4-difluoro-2-methoxyphenyl)methyl]piperazine
CID 115006374
1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
CID 5037695

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine?
The IUPAC name of 1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine (CID 118310188) is 1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine is Fc1cc(OC(F)F)ccc1CN1CCNCC1.
What is the InChIKey of 1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine?
The InChIKey is BZHDRCJZFFNZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-11-7-10(18-12(14)15)2-1-9(11)8-17-5-3-16-4-6-17/h1-2,7,12,16H,3-6,8H2.
What are the key properties of 1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine?
1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine has a molecular weight of 260.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine is sourced from PubChem (CID 118310188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).