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

C19H28N4O2 — CID 120870925

IUPAC2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine
SMILESCCCOc1ccc(OCCN2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C19H28N4O2/c1-3-13-24-16-4-6-17(7-5-16)25-14-12-23-11-8-20-15-18(23)19-21-9-10-22(19)2/h4-7,9-10,18,20H,3,8,11-15H2,1-2H3
InChIKeyDKXFUIJNOYSNPD-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.23
Rot. Bonds8

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

2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine (PubChem CID 120870925) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine
PubChem CID120870925
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine
SMILESCCCOc1ccc(OCCN2CCNCC2c2nccn2C)cc1
InChIInChI=1S/C19H28N4O2/c1-3-13-24-16-4-6-17(7-5-16)25-14-12-23-11-8-20-15-18(23)19-21-9-10-22(19)2/h4-7,9-10,18,20H,3,8,11-15H2,1-2H3
InChIKeyDKXFUIJNOYSNPD-UHFFFAOYSA-N
XLogP2.23
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871137
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-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione;hydrochloride
CID 120880653
1-[2-(2,6-dichlorophenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870426
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839
1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride
CID 120869765
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870032
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine (CID 120870925) is 2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine is CCCOc1ccc(OCCN2CCNCC2c2nccn2C)cc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine?
The InChIKey is DKXFUIJNOYSNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-13-24-16-4-6-17(7-5-16)25-14-12-23-11-8-20-15-18(23)19-21-9-10-22(19)2/h4-7,9-10,18,20H,3,8,11-15H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine?
2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine has a molecular weight of 344.46 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine is sourced from PubChem (CID 120870925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).