2-methylpiperazine;molecular hydrogen

C5H16N2 — CID 143777491

IUPAC2-methylpiperazine;molecular hydrogen
SMILESCC1CNCCN1.[H][H].[H][H]
InChIInChI=1S/C5H12N2.2H2/c1-5-4-6-2-3-7-5;;/h5-7H,2-4H2,1H3;2*1H
InChIKeyPATJIZBXVUBFDN-UHFFFAOYSA-N
MW104.20 g/mol
LogP0.06
Rot. Bonds

About 2-methylpiperazine;molecular hydrogen

2-methylpiperazine;molecular hydrogen (PubChem CID 143777491) has the molecular formula C5H16N2 and a molecular weight of 104.20 g/mol. Its IUPAC name is 2-methylpiperazine;molecular hydrogen.

Molecular Properties

Compound Name2-methylpiperazine;molecular hydrogen
PubChem CID143777491
Molecular FormulaC5H16N2
Molecular Weight104.20 g/mol
Exact Mass104.13
IUPAC Name2-methylpiperazine;molecular hydrogen
SMILESCC1CNCCN1.[H][H].[H][H]
InChIInChI=1S/C5H12N2.2H2/c1-5-4-6-2-3-7-5;;/h5-7H,2-4H2,1H3;2*1H
InChIKeyPATJIZBXVUBFDN-UHFFFAOYSA-N
XLogP0.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpiperazine;molecular hydrogen?
The IUPAC name of 2-methylpiperazine;molecular hydrogen (CID 143777491) is 2-methylpiperazine;molecular hydrogen.
What is the SMILES notation for 2-methylpiperazine;molecular hydrogen?
The canonical SMILES for 2-methylpiperazine;molecular hydrogen is CC1CNCCN1.[H][H].[H][H].
What is the InChIKey of 2-methylpiperazine;molecular hydrogen?
The InChIKey is PATJIZBXVUBFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.2H2/c1-5-4-6-2-3-7-5;;/h5-7H,2-4H2,1H3;2*1H.
What are the key properties of 2-methylpiperazine;molecular hydrogen?
2-methylpiperazine;molecular hydrogen has a molecular weight of 104.20 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpiperazine;molecular hydrogen is sourced from PubChem (CID 143777491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).