1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine

C14H22N6 — CID 2946281

IUPAC1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine
SMILESCn1ccnc1CN1CCN(Cc2nccn2C)CC1
InChIInChI=1S/C14H22N6/c1-17-5-3-15-13(17)11-19-7-9-20(10-8-19)12-14-16-4-6-18(14)2/h3-6H,7-12H2,1-2H3
InChIKeyQOPAOVUQVQJGEN-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.47
Rot. Bonds4

About 1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine

1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine (PubChem CID 2946281) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine
PubChem CID2946281
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine
SMILESCn1ccnc1CN1CCN(Cc2nccn2C)CC1
InChIInChI=1S/C14H22N6/c1-17-5-3-15-13(17)11-19-7-9-20(10-8-19)12-14-16-4-6-18(14)2/h3-6H,7-12H2,1-2H3
InChIKeyQOPAOVUQVQJGEN-UHFFFAOYSA-N
XLogP0.47
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine?
The IUPAC name of 1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine (CID 2946281) is 1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for 1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for 1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine is Cn1ccnc1CN1CCN(Cc2nccn2C)CC1.
What is the InChIKey of 1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine?
The InChIKey is QOPAOVUQVQJGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-17-5-3-15-13(17)11-19-7-9-20(10-8-19)12-14-16-4-6-18(14)2/h3-6H,7-12H2,1-2H3.
What are the key properties of 1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine?
1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine has a molecular weight of 274.37 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(1-methylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 2946281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).