3-benzyl-1-oxidopiperazin-1-ium

C11H16N2O — CID 88677092

IUPAC3-benzyl-1-oxidopiperazin-1-ium
SMILES[O-][NH+]1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C11H16N2O/c14-13-7-6-12-11(9-13)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKeyYCODADJAPDFTNU-UHFFFAOYSA-N
MW192.26 g/mol
LogP-0.42
Rot. Bonds2

About 3-benzyl-1-oxidopiperazin-1-ium

3-benzyl-1-oxidopiperazin-1-ium (PubChem CID 88677092) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-benzyl-1-oxidopiperazin-1-ium.

Molecular Properties

Compound Name3-benzyl-1-oxidopiperazin-1-ium
PubChem CID88677092
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-benzyl-1-oxidopiperazin-1-ium
SMILES[O-][NH+]1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C11H16N2O/c14-13-7-6-12-11(9-13)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKeyYCODADJAPDFTNU-UHFFFAOYSA-N
XLogP-0.42
TPSA39.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-oxidopiperazin-1-ium?
The IUPAC name of 3-benzyl-1-oxidopiperazin-1-ium (CID 88677092) is 3-benzyl-1-oxidopiperazin-1-ium.
What is the SMILES notation for 3-benzyl-1-oxidopiperazin-1-ium?
The canonical SMILES for 3-benzyl-1-oxidopiperazin-1-ium is [O-][NH+]1CCNC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1-oxidopiperazin-1-ium?
The InChIKey is YCODADJAPDFTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-13-7-6-12-11(9-13)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2.
What are the key properties of 3-benzyl-1-oxidopiperazin-1-ium?
3-benzyl-1-oxidopiperazin-1-ium has a molecular weight of 192.26 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-oxidopiperazin-1-ium is sourced from PubChem (CID 88677092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).