1,2-dimethylpiperazine;ethanol;methane

C9H24N2O — CID 177244174

IUPAC1,2-dimethylpiperazine;ethanol;methane
SMILESC.CC1CNCCN1C.CCO
InChIInChI=1S/C6H14N2.C2H6O.CH4/c1-6-5-7-3-4-8(6)2;1-2-3;/h6-7H,3-5H2,1-2H3;3H,2H2,1H3;1H4
InChIKeyLDUZNZDUFUFYRW-UHFFFAOYSA-N
MW176.30 g/mol
LogP0.54
Rot. Bonds

About 1,2-dimethylpiperazine;ethanol;methane

1,2-dimethylpiperazine;ethanol;methane (PubChem CID 177244174) has the molecular formula C9H24N2O and a molecular weight of 176.30 g/mol. Its IUPAC name is 1,2-dimethylpiperazine;ethanol;methane.

Molecular Properties

Compound Name1,2-dimethylpiperazine;ethanol;methane
PubChem CID177244174
Molecular FormulaC9H24N2O
Molecular Weight176.30 g/mol
Exact Mass176.19
IUPAC Name1,2-dimethylpiperazine;ethanol;methane
SMILESC.CC1CNCCN1C.CCO
InChIInChI=1S/C6H14N2.C2H6O.CH4/c1-6-5-7-3-4-8(6)2;1-2-3;/h6-7H,3-5H2,1-2H3;3H,2H2,1H3;1H4
InChIKeyLDUZNZDUFUFYRW-UHFFFAOYSA-N
XLogP0.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethylpiperazine;hydrate
CID 173257182
1,2-dimethylpiperazine;pyridine
CID 174829234
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
ethane;(2S)-1-ethyl-2-methylpiperazine
CID 154651366
methanol;2-methyl-1-nonylpiperazine
CID 144711987
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196
2-[4-(2-methylpiperazin-1-yl)piperazin-1-yl]ethanol
CID 68815789
triethoxy-(2-methylpiperazin-1-yl)silane
CID 67062407
(2R)-1-dodecyl-2-methylpiperazine
CID 82761023

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpiperazine;ethanol;methane?
The IUPAC name of 1,2-dimethylpiperazine;ethanol;methane (CID 177244174) is 1,2-dimethylpiperazine;ethanol;methane.
What is the SMILES notation for 1,2-dimethylpiperazine;ethanol;methane?
The canonical SMILES for 1,2-dimethylpiperazine;ethanol;methane is C.CC1CNCCN1C.CCO.
What is the InChIKey of 1,2-dimethylpiperazine;ethanol;methane?
The InChIKey is LDUZNZDUFUFYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C2H6O.CH4/c1-6-5-7-3-4-8(6)2;1-2-3;/h6-7H,3-5H2,1-2H3;3H,2H2,1H3;1H4.
What are the key properties of 1,2-dimethylpiperazine;ethanol;methane?
1,2-dimethylpiperazine;ethanol;methane has a molecular weight of 176.30 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperazine;ethanol;methane is sourced from PubChem (CID 177244174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).