ethane;1-hydroxy-4-methylpiperazine

C7H18N2O — CID 142974106

IUPACethane;1-hydroxy-4-methylpiperazine
SMILESCC.CN1CCN(O)CC1
InChIInChI=1S/C5H12N2O.C2H6/c1-6-2-4-7(8)5-3-6;1-2/h8H,2-5H2,1H3;1-2H3
InChIKeyPAZJNJYWJZSZNB-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.65
Rot. Bonds

About ethane;1-hydroxy-4-methylpiperazine

ethane;1-hydroxy-4-methylpiperazine (PubChem CID 142974106) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is ethane;1-hydroxy-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-hydroxy-4-methylpiperazine
PubChem CID142974106
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Nameethane;1-hydroxy-4-methylpiperazine
SMILESCC.CN1CCN(O)CC1
InChIInChI=1S/C5H12N2O.C2H6/c1-6-2-4-7(8)5-3-6;1-2/h8H,2-5H2,1H3;1-2H3
InChIKeyPAZJNJYWJZSZNB-UHFFFAOYSA-N
XLogP0.65
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dimethyl-1,4-dioxo-1lambda~5~,4lambda~5~-piperazine
CID 339810
4-Methylpiperazin-1-ol
CID 12463395
Piperazine-1,4-diol
CID 21134819
4-Ethylpiperazin-1-ol
CID 45117265
1,4-Dihydroxy-1,4-dimethylpiperazine-1,4-diium
CID 123285216
4-Fluoro-1-hydroxy-1-propylpiperazin-1-ium
CID 147772632
1-Hydroxy-2,4,6-trimethylpiperazine
CID 12407185
1,4-Diethyl-1,4-dioxidopiperazine-1,4-diium
CID 12930918
N-[2-(dimethylamino)ethyl]-N-ethylhydroxylamine
CID 19793944
1-Methoxy-4-methylpiperazine
CID 20579180
2-[Hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium
CID 20776662
1,4-Dimethyl-1-oxidopiperazin-1-ium
CID 22942545

Frequently Asked Questions

What is the IUPAC name of ethane;1-hydroxy-4-methylpiperazine?
The IUPAC name of ethane;1-hydroxy-4-methylpiperazine (CID 142974106) is ethane;1-hydroxy-4-methylpiperazine.
What is the SMILES notation for ethane;1-hydroxy-4-methylpiperazine?
The canonical SMILES for ethane;1-hydroxy-4-methylpiperazine is CC.CN1CCN(O)CC1.
What is the InChIKey of ethane;1-hydroxy-4-methylpiperazine?
The InChIKey is PAZJNJYWJZSZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C2H6/c1-6-2-4-7(8)5-3-6;1-2/h8H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-hydroxy-4-methylpiperazine?
ethane;1-hydroxy-4-methylpiperazine has a molecular weight of 146.23 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hydroxy-4-methylpiperazine is sourced from PubChem (CID 142974106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).