2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine

C12H21N5 — CID 70668538

IUPAC2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine
SMILESCC(c1cnccn1)N1CCN(CCN)CC1
InChIInChI=1S/C12H21N5/c1-11(12-10-14-3-4-15-12)17-8-6-16(5-2-13)7-9-17/h3-4,10-11H,2,5-9,13H2,1H3
InChIKeyTVCDOCYQKDERHZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.11
Rot. Bonds4

About 2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine

2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine (PubChem CID 70668538) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine
PubChem CID70668538
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine
SMILESCC(c1cnccn1)N1CCN(CCN)CC1
InChIInChI=1S/C12H21N5/c1-11(12-10-14-3-4-15-12)17-8-6-16(5-2-13)7-9-17/h3-4,10-11H,2,5-9,13H2,1H3
InChIKeyTVCDOCYQKDERHZ-UHFFFAOYSA-N
XLogP0.11
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine (CID 70668538) is 2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine is CC(c1cnccn1)N1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine?
The InChIKey is TVCDOCYQKDERHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-11(12-10-14-3-4-15-12)17-8-6-16(5-2-13)7-9-17/h3-4,10-11H,2,5-9,13H2,1H3.
What are the key properties of 2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine?
2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 70668538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).