1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine

C17H20F2N4O3 — CID 120912130

IUPAC1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1Cc1cc2c(cc1OC(F)F)OCO2
InChIInChI=1S/C17H20F2N4O3/c1-22-4-3-21-16(22)12-8-20-2-5-23(12)9-11-6-14-15(25-10-24-14)7-13(11)26-17(18)19/h3-4,6-7,12,17,20H,2,5,8-10H2,1H3
InChIKeyHFJVTBFNLSHDKM-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.90
Rot. Bonds5

About 1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine

1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine (PubChem CID 120912130) has the molecular formula C17H20F2N4O3 and a molecular weight of 366.37 g/mol. Its IUPAC name is 1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine
PubChem CID120912130
Molecular FormulaC17H20F2N4O3
Molecular Weight366.37 g/mol
Exact Mass366.15
IUPAC Name1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1Cc1cc2c(cc1OC(F)F)OCO2
InChIInChI=1S/C17H20F2N4O3/c1-22-4-3-21-16(22)12-8-20-2-5-23(12)9-11-6-14-15(25-10-24-14)7-13(11)26-17(18)19/h3-4,6-7,12,17,20H,2,5,8-10H2,1H3
InChIKeyHFJVTBFNLSHDKM-UHFFFAOYSA-N
XLogP1.90
TPSA60.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911748
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
1-[(5-chloro-2-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870133
1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912449
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912485
1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870103
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912365
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871328
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870299

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
The IUPAC name of 1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine (CID 120912130) is 1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for 1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine is Cn1ccnc1C1CNCCN1Cc1cc2c(cc1OC(F)F)OCO2.
What is the InChIKey of 1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
The InChIKey is HFJVTBFNLSHDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O3/c1-22-4-3-21-16(22)12-8-20-2-5-23(12)9-11-6-14-15(25-10-24-14)7-13(11)26-17(18)19/h3-4,6-7,12,17,20H,2,5,8-10H2,1H3.
What are the key properties of 1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine?
1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine has a molecular weight of 366.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 120912130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).