1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine

C16H20F2N4O — CID 120753443

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1C1CNCCN1Cc1nccn1C(F)F
InChIInChI=1S/C16H20F2N4O/c1-23-14-5-3-2-4-12(14)13-10-19-6-8-21(13)11-15-20-7-9-22(15)16(17)18/h2-5,7,9,13,16,19H,6,8,10-11H2,1H3
InChIKeyKUYHSIBXOGUWLD-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.43
Rot. Bonds5

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine (PubChem CID 120753443) has the molecular formula C16H20F2N4O and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine
PubChem CID120753443
Molecular FormulaC16H20F2N4O
Molecular Weight322.36 g/mol
Exact Mass322.16
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1C1CNCCN1Cc1nccn1C(F)F
InChIInChI=1S/C16H20F2N4O/c1-23-14-5-3-2-4-12(14)13-10-19-6-8-21(13)11-15-20-7-9-22(15)16(17)18/h2-5,7,9,13,16,19H,6,8,10-11H2,1H3
InChIKeyKUYHSIBXOGUWLD-UHFFFAOYSA-N
XLogP2.43
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
(2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine
CID 82713988
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 120967209
2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 120767508
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120767619
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120754169
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine (CID 120753443) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine is COc1ccccc1C1CNCCN1Cc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine?
The InChIKey is KUYHSIBXOGUWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O/c1-23-14-5-3-2-4-12(14)13-10-19-6-8-21(13)11-15-20-7-9-22(15)16(17)18/h2-5,7,9,13,16,19H,6,8,10-11H2,1H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine has a molecular weight of 322.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 120753443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).