1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine

C9H18N4 — CID 141043015

IUPAC1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine
SMILESC1=NCCN1CCN1CCNCC1
InChIInChI=1S/C9H18N4/c1-4-12(5-2-10-1)7-8-13-6-3-11-9-13/h9-10H,1-8H2
InChIKeyYABBIMRNHSAQOG-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.76
Rot. Bonds3

About 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine

1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine (PubChem CID 141043015) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine
PubChem CID141043015
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine
SMILESC1=NCCN1CCN1CCNCC1
InChIInChI=1S/C9H18N4/c1-4-12(5-2-10-1)7-8-13-6-3-11-9-13/h9-10H,1-8H2
InChIKeyYABBIMRNHSAQOG-UHFFFAOYSA-N
XLogP-0.76
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine (CID 141043015) is 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine is C1=NCCN1CCN1CCNCC1.
What is the InChIKey of 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine?
The InChIKey is YABBIMRNHSAQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-12(5-2-10-1)7-8-13-6-3-11-9-13/h9-10H,1-8H2.
What are the key properties of 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine?
1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine has a molecular weight of 182.27 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 141043015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).