1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine

C17H24N4O2 — CID 120871137

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCOc1ccc(OCCN2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C17H24N4O2/c1-20-9-8-19-17(20)16-13-18-7-10-21(16)11-12-23-15-5-3-14(22-2)4-6-15/h3-6,8-9,16,18H,7,10-13H2,1-2H3
InChIKeyDBHGAKDZEKGNKA-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.45
Rot. Bonds6

About 1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine

1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine (PubChem CID 120871137) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
PubChem CID120871137
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCOc1ccc(OCCN2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C17H24N4O2/c1-20-9-8-19-17(20)16-13-18-7-10-21(16)11-12-23-15-5-3-14(22-2)4-6-15/h3-6,8-9,16,18H,7,10-13H2,1-2H3
InChIKeyDBHGAKDZEKGNKA-UHFFFAOYSA-N
XLogP1.45
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 120870925
2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine
CID 120871041
4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
CID 120870468
N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide
CID 120870475
2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride
CID 120870422
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
1-[2-(2,6-dichlorophenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870426
N-[(4-methoxyphenyl)methyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871315
5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 120870308
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475
1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 120877364
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine (CID 120871137) is 1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine is COc1ccc(OCCN2CCNCC2c2nccn2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine?
The InChIKey is DBHGAKDZEKGNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-20-9-8-19-17(20)16-13-18-7-10-21(16)11-12-23-15-5-3-14(22-2)4-6-15/h3-6,8-9,16,18H,7,10-13H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine?
1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine has a molecular weight of 316.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 120871137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).