[4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol

C8H20N2O2+2 — CID 18715982

IUPAC[4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol
SMILESC[N+]1(CO)CC[N+](C)(CO)CC1
InChIInChI=1S/C8H20N2O2/c1-9(7-11)3-5-10(2,8-12)6-4-9/h11-12H,3-8H2,1-2H3/q+2
InChIKeyDAACAYPCJVIPLL-UHFFFAOYSA-N
MW176.26 g/mol
LogP-1.21
Rot. Bonds2

About [4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol

[4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol (PubChem CID 18715982) has the molecular formula C8H20N2O2+2 and a molecular weight of 176.26 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol
PubChem CID18715982
Molecular FormulaC8H20N2O2+2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name[4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol
SMILESC[N+]1(CO)CC[N+](C)(CO)CC1
InChIInChI=1S/C8H20N2O2/c1-9(7-11)3-5-10(2,8-12)6-4-9/h11-12H,3-8H2,1-2H3/q+2
InChIKeyDAACAYPCJVIPLL-UHFFFAOYSA-N
XLogP-1.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol (CID 18715982) is [4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol is C[N+]1(CO)CC[N+](C)(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol?
The InChIKey is DAACAYPCJVIPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-9(7-11)3-5-10(2,8-12)6-4-9/h11-12H,3-8H2,1-2H3/q+2.
What are the key properties of [4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol?
[4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol has a molecular weight of 176.26 g/mol, XLogP of -1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]methanol is sourced from PubChem (CID 18715982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).