1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine

C19H28N4O — CID 172860872

IUPAC1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCCn2ccnc2C)CC1
InChIInChI=1S/C19H28N4O/c1-17-20-9-12-22(17)11-6-5-10-21-13-15-23(16-14-21)18-7-3-4-8-19(18)24-2/h3-4,7-9,12H,5-6,10-11,13-16H2,1-2H3
InChIKeyZIKAWMAJOKQPSZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.80
Rot. Bonds7

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

1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine (PubChem CID 172860872) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
PubChem CID172860872
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCCn2ccnc2C)CC1
InChIInChI=1S/C19H28N4O/c1-17-20-9-12-22(17)11-6-5-10-21-13-15-23(16-14-21)18-7-3-4-8-19(18)24-2/h3-4,7-9,12H,5-6,10-11,13-16H2,1-2H3
InChIKeyZIKAWMAJOKQPSZ-UHFFFAOYSA-N
XLogP2.80
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine
CID 91830193
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine
CID 21481034
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol
CID 22482100
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine
CID 89427881
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine (CID 172860872) is 1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine is COc1ccccc1N1CCN(CCCCn2ccnc2C)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine?
The InChIKey is ZIKAWMAJOKQPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-17-20-9-12-22(17)11-6-5-10-21-13-15-23(16-14-21)18-7-3-4-8-19(18)24-2/h3-4,7-9,12H,5-6,10-11,13-16H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine?
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine has a molecular weight of 328.46 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine is sourced from PubChem (CID 172860872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).