1-methylpiperazine;hydrate

C5H14N2O — CID 23128681

IUPAC1-methylpiperazine;hydrate
SMILESCN1CCNCC1.O
InChIInChI=1S/C5H12N2.H2O/c1-7-4-2-6-3-5-7;/h6H,2-5H2,1H3;1H2
InChIKeyRNVDIKYKJMKSEK-UHFFFAOYSA-N
MW118.18 g/mol
LogP-1.30
Rot. Bonds

About 1-methylpiperazine;hydrate

1-methylpiperazine;hydrate (PubChem CID 23128681) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-methylpiperazine;hydrate.

Molecular Properties

Compound Name1-methylpiperazine;hydrate
PubChem CID23128681
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name1-methylpiperazine;hydrate
SMILESCN1CCNCC1.O
InChIInChI=1S/C5H12N2.H2O/c1-7-4-2-6-3-5-7;/h6H,2-5H2,1H3;1H2
InChIKeyRNVDIKYKJMKSEK-UHFFFAOYSA-N
XLogP-1.30
TPSA46.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methylpiperazine;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
ethane;1-methylpiperazine
CID 91350928
alumane;1-methylpiperazine
CID 173336720
1-methylpiperazine;dihydrochloride
CID 2734715
cyclopropane;1-methylpiperazine
CID 166166790
potassium;hydride;1-methylpiperazine
CID 174652278
ethane;methane;1-methylpiperazine
CID 142051303
1-methylpiperazine;oxalonitrile
CID 174499806
manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride
CID 67603621
7-methyl-1,4,7,10,13-pentazabicyclo[11.2.2]heptadecane
CID 58730173
4,7-dimethyl-1,4,7,10-tetrazacyclotridecane
CID 152746949

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine;hydrate?
The IUPAC name of 1-methylpiperazine;hydrate (CID 23128681) is 1-methylpiperazine;hydrate.
What is the SMILES notation for 1-methylpiperazine;hydrate?
The canonical SMILES for 1-methylpiperazine;hydrate is CN1CCNCC1.O.
What is the InChIKey of 1-methylpiperazine;hydrate?
The InChIKey is RNVDIKYKJMKSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.H2O/c1-7-4-2-6-3-5-7;/h6H,2-5H2,1H3;1H2.
What are the key properties of 1-methylpiperazine;hydrate?
1-methylpiperazine;hydrate has a molecular weight of 118.18 g/mol, XLogP of -1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;hydrate is sourced from PubChem (CID 23128681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).