1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine

C17H19F2N3O — CID 120754669

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
SMILESFC(F)Oc1ccccc1CN1CCNCC1c1cccnc1
InChIInChI=1S/C17H19F2N3O/c18-17(19)23-16-6-2-1-4-14(16)12-22-9-8-21-11-15(22)13-5-3-7-20-10-13/h1-7,10,15,17,21H,8-9,11-12H2
InChIKeyYONJOIWXODSDTI-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.83
Rot. Bonds5

About 1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine

1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120754669) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
PubChem CID120754669
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
SMILESFC(F)Oc1ccccc1CN1CCNCC1c1cccnc1
InChIInChI=1S/C17H19F2N3O/c18-17(19)23-16-6-2-1-4-14(16)12-22-9-8-21-11-15(22)13-5-3-7-20-10-13/h1-7,10,15,17,21H,8-9,11-12H2
InChIKeyYONJOIWXODSDTI-UHFFFAOYSA-N
XLogP2.83
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120755297
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768241
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754788
1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768082
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine (CID 120754669) is 1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine is FC(F)Oc1ccccc1CN1CCNCC1c1cccnc1.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is YONJOIWXODSDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c18-17(19)23-16-6-2-1-4-14(16)12-22-9-8-21-11-15(22)13-5-3-7-20-10-13/h1-7,10,15,17,21H,8-9,11-12H2.
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 319.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120754669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).