[6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol

C9H16N4O2 — CID 10192667

IUPAC[6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol
SMILESOCC1CNCC(COc2cnc[nH]2)N1
InChIInChI=1S/C9H16N4O2/c14-4-7-1-10-2-8(13-7)5-15-9-3-11-6-12-9/h3,6-8,10,13-14H,1-2,4-5H2,(H,11,12)
InChIKeyGMSQBYSMWOEXNE-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.29
Rot. Bonds4

About [6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol

[6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol (PubChem CID 10192667) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is [6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol
PubChem CID10192667
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name[6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol
SMILESOCC1CNCC(COc2cnc[nH]2)N1
InChIInChI=1S/C9H16N4O2/c14-4-7-1-10-2-8(13-7)5-15-9-3-11-6-12-9/h3,6-8,10,13-14H,1-2,4-5H2,(H,11,12)
InChIKeyGMSQBYSMWOEXNE-UHFFFAOYSA-N
XLogP-1.29
TPSA82.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol?
The IUPAC name of [6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol (CID 10192667) is [6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol.
What is the SMILES notation for [6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol?
The canonical SMILES for [6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol is OCC1CNCC(COc2cnc[nH]2)N1.
What is the InChIKey of [6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol?
The InChIKey is GMSQBYSMWOEXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c14-4-7-1-10-2-8(13-7)5-15-9-3-11-6-12-9/h3,6-8,10,13-14H,1-2,4-5H2,(H,11,12).
What are the key properties of [6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol?
[6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol has a molecular weight of 212.25 g/mol, XLogP of -1.29, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol is sourced from PubChem (CID 10192667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).