4-benzyl-1-methylpiperazine-2,2,6,6-tetrol

C12H18N2O4 — CID 129179319

IUPAC4-benzyl-1-methylpiperazine-2,2,6,6-tetrol
SMILESCN1C(O)(O)CN(Cc2ccccc2)CC1(O)O
InChIInChI=1S/C12H18N2O4/c1-13-11(15,16)8-14(9-12(13,17)18)7-10-5-3-2-4-6-10/h2-6,15-18H,7-9H2,1H3
InChIKeyJYEUXBUFLNFFCB-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.29
Rot. Bonds2

About 4-benzyl-1-methylpiperazine-2,2,6,6-tetrol

4-benzyl-1-methylpiperazine-2,2,6,6-tetrol (PubChem CID 129179319) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-benzyl-1-methylpiperazine-2,2,6,6-tetrol.

Molecular Properties

Compound Name4-benzyl-1-methylpiperazine-2,2,6,6-tetrol
PubChem CID129179319
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name4-benzyl-1-methylpiperazine-2,2,6,6-tetrol
SMILESCN1C(O)(O)CN(Cc2ccccc2)CC1(O)O
InChIInChI=1S/C12H18N2O4/c1-13-11(15,16)8-14(9-12(13,17)18)7-10-5-3-2-4-6-10/h2-6,15-18H,7-9H2,1H3
InChIKeyJYEUXBUFLNFFCB-UHFFFAOYSA-N
XLogP-1.29
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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1-benzyl-4-methylpiperidin-4-ol
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CID 15283107
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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-methylpiperazine-2,2,6,6-tetrol?
The IUPAC name of 4-benzyl-1-methylpiperazine-2,2,6,6-tetrol (CID 129179319) is 4-benzyl-1-methylpiperazine-2,2,6,6-tetrol.
What is the SMILES notation for 4-benzyl-1-methylpiperazine-2,2,6,6-tetrol?
The canonical SMILES for 4-benzyl-1-methylpiperazine-2,2,6,6-tetrol is CN1C(O)(O)CN(Cc2ccccc2)CC1(O)O.
What is the InChIKey of 4-benzyl-1-methylpiperazine-2,2,6,6-tetrol?
The InChIKey is JYEUXBUFLNFFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-13-11(15,16)8-14(9-12(13,17)18)7-10-5-3-2-4-6-10/h2-6,15-18H,7-9H2,1H3.
What are the key properties of 4-benzyl-1-methylpiperazine-2,2,6,6-tetrol?
4-benzyl-1-methylpiperazine-2,2,6,6-tetrol has a molecular weight of 254.29 g/mol, XLogP of -1.29, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-methylpiperazine-2,2,6,6-tetrol is sourced from PubChem (CID 129179319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).