1-[3-(4-methylimidazol-1-yl)phenyl]piperazine

C14H18N4 — CID 82513454

IUPAC1-[3-(4-methylimidazol-1-yl)phenyl]piperazine
SMILESCc1cn(-c2cccc(N3CCNCC3)c2)cn1
InChIInChI=1S/C14H18N4/c1-12-10-18(11-16-12)14-4-2-3-13(9-14)17-7-5-15-6-8-17/h2-4,9-11,15H,5-8H2,1H3
InChIKeyQWYAFLYMLAPEEG-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.59
Rot. Bonds2

About 1-[3-(4-methylimidazol-1-yl)phenyl]piperazine

1-[3-(4-methylimidazol-1-yl)phenyl]piperazine (PubChem CID 82513454) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[3-(4-methylimidazol-1-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-[3-(4-methylimidazol-1-yl)phenyl]piperazine
PubChem CID82513454
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[3-(4-methylimidazol-1-yl)phenyl]piperazine
SMILESCc1cn(-c2cccc(N3CCNCC3)c2)cn1
InChIInChI=1S/C14H18N4/c1-12-10-18(11-16-12)14-4-2-3-13(9-14)17-7-5-15-6-8-17/h2-4,9-11,15H,5-8H2,1H3
InChIKeyQWYAFLYMLAPEEG-UHFFFAOYSA-N
XLogP1.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylimidazol-1-yl)benzoic acid
CID 82512349
1-(3-ethoxyphenyl)piperazine
CID 14519634
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine
CID 72877578
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride
CID 154914779
methyl 3-(4-methylimidazol-1-yl)benzoate
CID 22224935
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride
CID 138393542
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
3-(1,4-diazepan-1-yl)aniline
CID 22478590

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylimidazol-1-yl)phenyl]piperazine?
The IUPAC name of 1-[3-(4-methylimidazol-1-yl)phenyl]piperazine (CID 82513454) is 1-[3-(4-methylimidazol-1-yl)phenyl]piperazine.
What is the SMILES notation for 1-[3-(4-methylimidazol-1-yl)phenyl]piperazine?
The canonical SMILES for 1-[3-(4-methylimidazol-1-yl)phenyl]piperazine is Cc1cn(-c2cccc(N3CCNCC3)c2)cn1.
What is the InChIKey of 1-[3-(4-methylimidazol-1-yl)phenyl]piperazine?
The InChIKey is QWYAFLYMLAPEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-12-10-18(11-16-12)14-4-2-3-13(9-14)17-7-5-15-6-8-17/h2-4,9-11,15H,5-8H2,1H3.
What are the key properties of 1-[3-(4-methylimidazol-1-yl)phenyl]piperazine?
1-[3-(4-methylimidazol-1-yl)phenyl]piperazine has a molecular weight of 242.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylimidazol-1-yl)phenyl]piperazine is sourced from PubChem (CID 82513454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).