1-ethyl-2-(1H-imidazol-2-yl)piperazine

C9H16N4 — CID 82668736

IUPAC1-ethyl-2-(1H-imidazol-2-yl)piperazine
SMILESCCN1CCNCC1c1ncc[nH]1
InChIInChI=1S/C9H16N4/c1-2-13-6-5-10-7-8(13)9-11-3-4-12-9/h3-4,8,10H,2,5-7H2,1H3,(H,11,12)
InChIKeyHTSARYGPGGALSF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.38
Rot. Bonds2

About 1-ethyl-2-(1H-imidazol-2-yl)piperazine

1-ethyl-2-(1H-imidazol-2-yl)piperazine (PubChem CID 82668736) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-ethyl-2-(1H-imidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-ethyl-2-(1H-imidazol-2-yl)piperazine
PubChem CID82668736
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-ethyl-2-(1H-imidazol-2-yl)piperazine
SMILESCCN1CCNCC1c1ncc[nH]1
InChIInChI=1S/C9H16N4/c1-2-13-6-5-10-7-8(13)9-11-3-4-12-9/h3-4,8,10H,2,5-7H2,1H3,(H,11,12)
InChIKeyHTSARYGPGGALSF-UHFFFAOYSA-N
XLogP0.38
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 66130
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CID 162320
CID 162320
CID 123457
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CID 85582
CID 85582
CID 162617
CID 162617
CID 272245
CID 272245
CID 11815351
CID 11815351
CID 13281190
CID 13281190
CID 22998707
CID 22998707
CID 109093
CID 109093
CID 54592639
CID 54592639
CID 498442
CID 498442

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(1H-imidazol-2-yl)piperazine?
The IUPAC name of 1-ethyl-2-(1H-imidazol-2-yl)piperazine (CID 82668736) is 1-ethyl-2-(1H-imidazol-2-yl)piperazine.
What is the SMILES notation for 1-ethyl-2-(1H-imidazol-2-yl)piperazine?
The canonical SMILES for 1-ethyl-2-(1H-imidazol-2-yl)piperazine is CCN1CCNCC1c1ncc[nH]1.
What is the InChIKey of 1-ethyl-2-(1H-imidazol-2-yl)piperazine?
The InChIKey is HTSARYGPGGALSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-13-6-5-10-7-8(13)9-11-3-4-12-9/h3-4,8,10H,2,5-7H2,1H3,(H,11,12).
What are the key properties of 1-ethyl-2-(1H-imidazol-2-yl)piperazine?
1-ethyl-2-(1H-imidazol-2-yl)piperazine has a molecular weight of 180.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(1H-imidazol-2-yl)piperazine is sourced from PubChem (CID 82668736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).