2-methylpiperazine;hydrate

C5H14N2O — CID 141084178

IUPAC2-methylpiperazine;hydrate
SMILESCC1CNCCN1.O
InChIInChI=1S/C5H12N2.H2O/c1-5-4-6-2-3-7-5;/h5-7H,2-4H2,1H3;1H2
InChIKeyFCZQAKCHBGVLAA-UHFFFAOYSA-N
MW118.18 g/mol
LogP-1.26
Rot. Bonds

About 2-methylpiperazine;hydrate

2-methylpiperazine;hydrate (PubChem CID 141084178) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-methylpiperazine;hydrate.

Molecular Properties

Compound Name2-methylpiperazine;hydrate
PubChem CID141084178
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name2-methylpiperazine;hydrate
SMILESCC1CNCCN1.O
InChIInChI=1S/C5H12N2.H2O/c1-5-4-6-2-3-7-5;/h5-7H,2-4H2,1H3;1H2
InChIKeyFCZQAKCHBGVLAA-UHFFFAOYSA-N
XLogP-1.26
TPSA55.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpiperazine;hydrate?
The IUPAC name of 2-methylpiperazine;hydrate (CID 141084178) is 2-methylpiperazine;hydrate.
What is the SMILES notation for 2-methylpiperazine;hydrate?
The canonical SMILES for 2-methylpiperazine;hydrate is CC1CNCCN1.O.
What is the InChIKey of 2-methylpiperazine;hydrate?
The InChIKey is FCZQAKCHBGVLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.H2O/c1-5-4-6-2-3-7-5;/h5-7H,2-4H2,1H3;1H2.
What are the key properties of 2-methylpiperazine;hydrate?
2-methylpiperazine;hydrate has a molecular weight of 118.18 g/mol, XLogP of -1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpiperazine;hydrate is sourced from PubChem (CID 141084178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).