1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine

C17H18F3N3O — CID 120910574

IUPAC1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine
SMILESFc1cc(CN2CCNCC2c2ccncc2)ccc1OC(F)F
InChIInChI=1S/C17H18F3N3O/c18-14-9-12(1-2-16(14)24-17(19)20)11-23-8-7-22-10-15(23)13-3-5-21-6-4-13/h1-6,9,15,17,22H,7-8,10-11H2
InChIKeyQSNQYEKLKDZTFN-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.97
Rot. Bonds5

About 1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine

1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine (PubChem CID 120910574) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine
PubChem CID120910574
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine
SMILESFc1cc(CN2CCNCC2c2ccncc2)ccc1OC(F)F
InChIInChI=1S/C17H18F3N3O/c18-14-9-12(1-2-16(14)24-17(19)20)11-23-8-7-22-10-15(23)13-3-5-21-6-4-13/h1-6,9,15,17,22H,7-8,10-11H2
InChIKeyQSNQYEKLKDZTFN-UHFFFAOYSA-N
XLogP2.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910278
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768465
2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine
CID 120909944
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
1-[(4-methoxy-3-nitrophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910353
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine?
The IUPAC name of 1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine (CID 120910574) is 1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine is Fc1cc(CN2CCNCC2c2ccncc2)ccc1OC(F)F.
What is the InChIKey of 1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine?
The InChIKey is QSNQYEKLKDZTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c18-14-9-12(1-2-16(14)24-17(19)20)11-23-8-7-22-10-15(23)13-3-5-21-6-4-13/h1-6,9,15,17,22H,7-8,10-11H2.
What are the key properties of 1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine?
1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine has a molecular weight of 337.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine is sourced from PubChem (CID 120910574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).