1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine

C21H30N4O — CID 91831981

IUPAC1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cncn2C2CCCCC2)CC1
InChIInChI=1S/C21H30N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-19-15-22-17-25(19)18-7-3-2-4-8-18/h5-6,9-10,15,17-18H,2-4,7-8,11-14,16H2,1H3
InChIKeyMODXMGDHPPNCDL-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.72
Rot. Bonds5

About 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine

1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 91831981) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID91831981
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cncn2C2CCCCC2)CC1
InChIInChI=1S/C21H30N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-19-15-22-17-25(19)18-7-3-2-4-8-18/h5-6,9-10,15,17-18H,2-4,7-8,11-14,16H2,1H3
InChIKeyMODXMGDHPPNCDL-UHFFFAOYSA-N
XLogP3.72
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine
CID 171492437
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 166277174
1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 91840279
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-propan-2-ylcyclohexanecarboxamide
CID 11798444
1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
CID 45207866
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole
CID 166277175
4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole
CID 70809648
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 62611272
1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45216724

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine (CID 91831981) is 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2cncn2C2CCCCC2)CC1.
What is the InChIKey of 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is MODXMGDHPPNCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-19-15-22-17-25(19)18-7-3-2-4-8-18/h5-6,9-10,15,17-18H,2-4,7-8,11-14,16H2,1H3.
What are the key properties of 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine?
1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 354.50 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 91831981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).