1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine

C18H20F2N2O — CID 23046054

IUPAC1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine
SMILESFC(F)Oc1ccccc1-c1ccccc1CN1CCNCC1
InChIInChI=1S/C18H20F2N2O/c19-18(20)23-17-8-4-3-7-16(17)15-6-2-1-5-14(15)13-22-11-9-21-10-12-22/h1-8,18,21H,9-13H2
InChIKeyWNQBSUKYKWQSKD-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.36
Rot. Bonds5

About 1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine

1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine (PubChem CID 23046054) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine
PubChem CID23046054
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine
SMILESFC(F)Oc1ccccc1-c1ccccc1CN1CCNCC1
InChIInChI=1S/C18H20F2N2O/c19-18(20)23-17-8-4-3-7-16(17)15-6-2-1-5-14(15)13-22-11-9-21-10-12-22/h1-8,18,21H,9-13H2
InChIKeyWNQBSUKYKWQSKD-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine
CID 84701976
1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine
CID 56701153
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 43162436
1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine
CID 118310188
1-(1,4-diazepan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanone;hydrochloride
CID 119416195
1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine
CID 90732660
1-[[2-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 61057074
4-[[2-(difluoromethoxy)phenyl]methyl]piperidine
CID 117355180
[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909783
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine (CID 23046054) is 1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine is FC(F)Oc1ccccc1-c1ccccc1CN1CCNCC1.
What is the InChIKey of 1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine?
The InChIKey is WNQBSUKYKWQSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c19-18(20)23-17-8-4-3-7-16(17)15-6-2-1-5-14(15)13-22-11-9-21-10-12-22/h1-8,18,21H,9-13H2.
What are the key properties of 1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine?
1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine has a molecular weight of 318.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(difluoromethoxy)phenyl]phenyl]methyl]piperazine is sourced from PubChem (CID 23046054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).