1-[4-(2-methylimidazol-1-yl)phenyl]piperazine

C14H18N4 — CID 82513449

IUPAC1-[4-(2-methylimidazol-1-yl)phenyl]piperazine
SMILESCc1nccn1-c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H18N4/c1-12-16-8-11-18(12)14-4-2-13(3-5-14)17-9-6-15-7-10-17/h2-5,8,11,15H,6-7,9-10H2,1H3
InChIKeyZBMOWTGKUYEBRQ-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.59
Rot. Bonds2

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

1-[4-(2-methylimidazol-1-yl)phenyl]piperazine (PubChem CID 82513449) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[4-(2-methylimidazol-1-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(2-methylimidazol-1-yl)phenyl]piperazine
PubChem CID82513449
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[4-(2-methylimidazol-1-yl)phenyl]piperazine
SMILESCc1nccn1-c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H18N4/c1-12-16-8-11-18(12)14-4-2-13(3-5-14)17-9-6-15-7-10-17/h2-5,8,11,15H,6-7,9-10H2,1H3
InChIKeyZBMOWTGKUYEBRQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline
CID 167800061
N-methyl-N'-[1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-yl]butane-1,4-diamine
CID 46983204
1-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]piperazine
CID 82513477
6-piperazin-1-ylimidazo[1,2-a]pyridine
CID 20785473
2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 63817285
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethanol
CID 78941239
6-piperazin-1-ylimidazo[1,2-a]pyridine;hydrochloride
CID 138962051
1-bromo-4-methylbenzene;1-(4-methylphenyl)piperazine
CID 161139081
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 82487984
O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine
CID 117291724
N-(2,2-dimethyloxan-4-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine
CID 47000556
[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine
CID 82391333

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylimidazol-1-yl)phenyl]piperazine?
The IUPAC name of 1-[4-(2-methylimidazol-1-yl)phenyl]piperazine (CID 82513449) is 1-[4-(2-methylimidazol-1-yl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(2-methylimidazol-1-yl)phenyl]piperazine?
The canonical SMILES for 1-[4-(2-methylimidazol-1-yl)phenyl]piperazine is Cc1nccn1-c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(2-methylimidazol-1-yl)phenyl]piperazine?
The InChIKey is ZBMOWTGKUYEBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-12-16-8-11-18(12)14-4-2-13(3-5-14)17-9-6-15-7-10-17/h2-5,8,11,15H,6-7,9-10H2,1H3.
What are the key properties of 1-[4-(2-methylimidazol-1-yl)phenyl]piperazine?
1-[4-(2-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-[4-(2-methylimidazol-1-yl)phenyl]piperazine is sourced from PubChem (CID 82513449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).