(1-oxidopiperazin-2-yl)methanol

C5H11N2O2- — CID 87775349

IUPAC(1-oxidopiperazin-2-yl)methanol
SMILES[O-]N1CCNCC1CO
InChIInChI=1S/C5H11N2O2/c8-4-5-3-6-1-2-7(5)9/h5-6,8H,1-4H2/q-1
InChIKeyMQEUWFZCEPAKFZ-UHFFFAOYSA-N
MW131.16 g/mol
LogP-1.25
Rot. Bonds1

About (1-oxidopiperazin-2-yl)methanol

(1-oxidopiperazin-2-yl)methanol (PubChem CID 87775349) has the molecular formula C5H11N2O2- and a molecular weight of 131.16 g/mol. Its IUPAC name is (1-oxidopiperazin-2-yl)methanol.

Molecular Properties

Compound Name(1-oxidopiperazin-2-yl)methanol
PubChem CID87775349
Molecular FormulaC5H11N2O2-
Molecular Weight131.16 g/mol
Exact Mass131.08
IUPAC Name(1-oxidopiperazin-2-yl)methanol
SMILES[O-]N1CCNCC1CO
InChIInChI=1S/C5H11N2O2/c8-4-5-3-6-1-2-7(5)9/h5-6,8H,1-4H2/q-1
InChIKeyMQEUWFZCEPAKFZ-UHFFFAOYSA-N
XLogP-1.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-oxidopiperazin-2-yl)methanol?
The IUPAC name of (1-oxidopiperazin-2-yl)methanol (CID 87775349) is (1-oxidopiperazin-2-yl)methanol.
What is the SMILES notation for (1-oxidopiperazin-2-yl)methanol?
The canonical SMILES for (1-oxidopiperazin-2-yl)methanol is [O-]N1CCNCC1CO.
What is the InChIKey of (1-oxidopiperazin-2-yl)methanol?
The InChIKey is MQEUWFZCEPAKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2O2/c8-4-5-3-6-1-2-7(5)9/h5-6,8H,1-4H2/q-1.
What are the key properties of (1-oxidopiperazin-2-yl)methanol?
(1-oxidopiperazin-2-yl)methanol has a molecular weight of 131.16 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxidopiperazin-2-yl)methanol is sourced from PubChem (CID 87775349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).