[5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol

C11H19N3O2 — CID 83009491

IUPAC[5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol
SMILESCN1CCN(NCc2ccc(CO)o2)CC1
InChIInChI=1S/C11H19N3O2/c1-13-4-6-14(7-5-13)12-8-10-2-3-11(9-15)16-10/h2-3,12,15H,4-9H2,1H3
InChIKeyUYYZDIYOSZEQMK-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.02
Rot. Bonds4

About [5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol

[5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol (PubChem CID 83009491) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol
PubChem CID83009491
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol
SMILESCN1CCN(NCc2ccc(CO)o2)CC1
InChIInChI=1S/C11H19N3O2/c1-13-4-6-14(7-5-13)12-8-10-2-3-11(9-15)16-10/h2-3,12,15H,4-9H2,1H3
InChIKeyUYYZDIYOSZEQMK-UHFFFAOYSA-N
XLogP0.02
TPSA51.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol (CID 83009491) is [5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol is CN1CCN(NCc2ccc(CO)o2)CC1.
What is the InChIKey of [5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol?
The InChIKey is UYYZDIYOSZEQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-13-4-6-14(7-5-13)12-8-10-2-3-11(9-15)16-10/h2-3,12,15H,4-9H2,1H3.
What are the key properties of [5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol?
[5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol has a molecular weight of 225.29 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 83009491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).