2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol

C10H18N4O — CID 115747077

IUPAC2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2cnc[nH]2)CC1
InChIInChI=1S/C10H18N4O/c15-6-5-13-1-3-14(4-2-13)8-10-7-11-9-12-10/h7,9,15H,1-6,8H2,(H,11,12)
InChIKeyHEEQTJRQVDTDDJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.48
Rot. Bonds4

About 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol

2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol (PubChem CID 115747077) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol
PubChem CID115747077
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2cnc[nH]2)CC1
InChIInChI=1S/C10H18N4O/c15-6-5-13-1-3-14(4-2-13)8-10-7-11-9-12-10/h7,9,15H,1-6,8H2,(H,11,12)
InChIKeyHEEQTJRQVDTDDJ-UHFFFAOYSA-N
XLogP-0.48
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol (CID 115747077) is 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol is OCCN1CCN(Cc2cnc[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol?
The InChIKey is HEEQTJRQVDTDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c15-6-5-13-1-3-14(4-2-13)8-10-7-11-9-12-10/h7,9,15H,1-6,8H2,(H,11,12).
What are the key properties of 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol?
2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol has a molecular weight of 210.28 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 115747077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).