2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine

C11H18N4 — CID 86329920

IUPAC2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine
SMILESC[C@H]1CNCCN1[C@@H](C)c1cnccn1
InChIInChI=1S/C11H18N4/c1-9-7-13-5-6-15(9)10(2)11-8-12-3-4-14-11/h3-4,8-10,13H,5-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyDPGOYENPYLNSPW-UWVGGRQHSA-N
MW206.29 g/mol
LogP0.83
Rot. Bonds2

About 2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine

2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine (PubChem CID 86329920) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine.

Molecular Properties

Compound Name2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine
PubChem CID86329920
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine
SMILESC[C@H]1CNCCN1[C@@H](C)c1cnccn1
InChIInChI=1S/C11H18N4/c1-9-7-13-5-6-15(9)10(2)11-8-12-3-4-14-11/h3-4,8-10,13H,5-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyDPGOYENPYLNSPW-UWVGGRQHSA-N
XLogP0.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine?
The IUPAC name of 2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine (CID 86329920) is 2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine.
What is the SMILES notation for 2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine?
The canonical SMILES for 2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine is C[C@H]1CNCCN1[C@@H](C)c1cnccn1.
What is the InChIKey of 2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine?
The InChIKey is DPGOYENPYLNSPW-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18N4/c1-9-7-13-5-6-15(9)10(2)11-8-12-3-4-14-11/h3-4,8-10,13H,5-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of 2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine?
2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine has a molecular weight of 206.29 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine is sourced from PubChem (CID 86329920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).