1-[(1-methylimidazol-2-yl)methyl]piperazine

C9H16N4 — CID 43112093

IUPAC1-[(1-methylimidazol-2-yl)methyl]piperazine
SMILESCn1ccnc1CN1CCNCC1
InChIInChI=1S/C9H16N4/c1-12-5-4-11-9(12)8-13-6-2-10-3-7-13/h4-5,10H,2-3,6-8H2,1H3
InChIKeySOCFBKAXXSIIFD-UHFFFAOYSA-N
MW180.26 g/mol
LogP-0.17
Rot. Bonds2

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

1-[(1-methylimidazol-2-yl)methyl]piperazine (PubChem CID 43112093) has the molecular formula C9H16N4 and a molecular weight of 180.26 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]piperazine
PubChem CID43112093
Molecular FormulaC9H16N4
Molecular Weight180.26 g/mol
Exact Mass180.14
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]piperazine
SMILESCn1ccnc1CN1CCNCC1
InChIInChI=1S/C9H16N4/c1-12-5-4-11-9(12)8-13-6-2-10-3-7-13/h4-5,10H,2-3,6-8H2,1H3
InChIKeySOCFBKAXXSIIFD-UHFFFAOYSA-N
XLogP-0.17
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]piperazine?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]piperazine (CID 43112093) is 1-[(1-methylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]piperazine is Cn1ccnc1CN1CCNCC1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]piperazine?
The InChIKey is SOCFBKAXXSIIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-5-4-11-9(12)8-13-6-2-10-3-7-13/h4-5,10H,2-3,6-8H2,1H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]piperazine?
1-[(1-methylimidazol-2-yl)methyl]piperazine has a molecular weight of 180.26 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 43112093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).