(2S)-2-methylpiperazine

C5H12N2 — CID 2734219

IUPAC(2S)-2-methylpiperazine
SMILESC[C@H]1CNCCN1
InChIInChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/t5-/m0/s1
InChIKeyJOMNTHCQHJPVAZ-YFKPBYRVSA-N
MW100.17 g/mol
LogP-0.43
Rot. Bonds

About (2S)-2-methylpiperazine

(2S)-2-methylpiperazine (PubChem CID 2734219) has the molecular formula C5H12N2 and a molecular weight of 100.17 g/mol. Its IUPAC name is (2S)-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-2-methylpiperazine
PubChem CID2734219
Molecular FormulaC5H12N2
Molecular Weight100.17 g/mol
Exact Mass100.10
IUPAC Name(2S)-2-methylpiperazine
SMILESC[C@H]1CNCCN1
InChIInChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/t5-/m0/s1
InChIKeyJOMNTHCQHJPVAZ-YFKPBYRVSA-N
XLogP-0.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.17
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylpiperazine?
The IUPAC name of (2S)-2-methylpiperazine (CID 2734219) is (2S)-2-methylpiperazine.
What is the SMILES notation for (2S)-2-methylpiperazine?
The canonical SMILES for (2S)-2-methylpiperazine is C[C@H]1CNCCN1.
What is the InChIKey of (2S)-2-methylpiperazine?
The InChIKey is JOMNTHCQHJPVAZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-methylpiperazine?
(2S)-2-methylpiperazine has a molecular weight of 100.17 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylpiperazine is sourced from PubChem (CID 2734219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).