1,2-dimethylpiperazine;hydrate

C6H16N2O — CID 173257182

IUPAC1,2-dimethylpiperazine;hydrate
SMILESCC1CNCCN1C.O
InChIInChI=1S/C6H14N2.H2O/c1-6-5-7-3-4-8(6)2;/h6-7H,3-5H2,1-2H3;1H2
InChIKeyXBBKFKLOLJLLQH-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.91
Rot. Bonds

About 1,2-dimethylpiperazine;hydrate

1,2-dimethylpiperazine;hydrate (PubChem CID 173257182) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 1,2-dimethylpiperazine;hydrate.

Molecular Properties

Compound Name1,2-dimethylpiperazine;hydrate
PubChem CID173257182
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name1,2-dimethylpiperazine;hydrate
SMILESCC1CNCCN1C.O
InChIInChI=1S/C6H14N2.H2O/c1-6-5-7-3-4-8(6)2;/h6-7H,3-5H2,1-2H3;1H2
InChIKeyXBBKFKLOLJLLQH-UHFFFAOYSA-N
XLogP-0.91
TPSA46.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethylpiperazine;ethanol;methane
CID 177244174
1,2-dimethylpiperazine;pyridine
CID 174829234
1,5-dimethylimidazolidine
CID 23146005
1-iodo-2-methylpiperazine
CID 154534640
1-fluoro-2-methylpiperazine
CID 142193617
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196
(2R)-2-methoxy-1-methylpiperazine
CID 174835228
(2S)-2-methyl-1-nitrosopiperazine
CID 172967702
1-(3-methoxypropyl)-2-methylpiperazine
CID 62674205
ethane;(2S)-1-ethyl-2-methylpiperazine
CID 154651366
(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
CID 57463733
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpiperazine;hydrate?
The IUPAC name of 1,2-dimethylpiperazine;hydrate (CID 173257182) is 1,2-dimethylpiperazine;hydrate.
What is the SMILES notation for 1,2-dimethylpiperazine;hydrate?
The canonical SMILES for 1,2-dimethylpiperazine;hydrate is CC1CNCCN1C.O.
What is the InChIKey of 1,2-dimethylpiperazine;hydrate?
The InChIKey is XBBKFKLOLJLLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.H2O/c1-6-5-7-3-4-8(6)2;/h6-7H,3-5H2,1-2H3;1H2.
What are the key properties of 1,2-dimethylpiperazine;hydrate?
1,2-dimethylpiperazine;hydrate has a molecular weight of 132.21 g/mol, XLogP of -0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperazine;hydrate is sourced from PubChem (CID 173257182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).