(2R,5S)-2-ethyl-5-methylpiperazine

C7H16N2 — CID 56973373

IUPAC(2R,5S)-2-ethyl-5-methylpiperazine
SMILESCC[C@@H]1CN[C@@H](C)CN1
InChIInChI=1S/C7H16N2/c1-3-7-5-8-6(2)4-9-7/h6-9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyVXVCTVOKVWCZOF-NKWVEPMBSA-N
MW128.22 g/mol
LogP0.35
Rot. Bonds1

About (2R,5S)-2-ethyl-5-methylpiperazine

(2R,5S)-2-ethyl-5-methylpiperazine (PubChem CID 56973373) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (2R,5S)-2-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name(2R,5S)-2-ethyl-5-methylpiperazine
PubChem CID56973373
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(2R,5S)-2-ethyl-5-methylpiperazine
SMILESCC[C@@H]1CN[C@@H](C)CN1
InChIInChI=1S/C7H16N2/c1-3-7-5-8-6(2)4-9-7/h6-9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyVXVCTVOKVWCZOF-NKWVEPMBSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-ethyl-5-methylpiperazine?
The IUPAC name of (2R,5S)-2-ethyl-5-methylpiperazine (CID 56973373) is (2R,5S)-2-ethyl-5-methylpiperazine.
What is the SMILES notation for (2R,5S)-2-ethyl-5-methylpiperazine?
The canonical SMILES for (2R,5S)-2-ethyl-5-methylpiperazine is CC[C@@H]1CN[C@@H](C)CN1.
What is the InChIKey of (2R,5S)-2-ethyl-5-methylpiperazine?
The InChIKey is VXVCTVOKVWCZOF-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-7-5-8-6(2)4-9-7/h6-9H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (2R,5S)-2-ethyl-5-methylpiperazine?
(2R,5S)-2-ethyl-5-methylpiperazine has a molecular weight of 128.22 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-ethyl-5-methylpiperazine is sourced from PubChem (CID 56973373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).