1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone

C12H18N4O — CID 71683243

IUPAC1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cccc(N)n2)CC1
InChIInChI=1S/C12H18N4O/c1-10(17)16-7-5-15(6-8-16)9-11-3-2-4-12(13)14-11/h2-4H,5-9H2,1H3,(H2,13,14)
InChIKeyFTOKLKRJNPGFEP-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.33
Rot. Bonds2

About 1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone

1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone (PubChem CID 71683243) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone
PubChem CID71683243
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cccc(N)n2)CC1
InChIInChI=1S/C12H18N4O/c1-10(17)16-7-5-15(6-8-16)9-11-3-2-4-12(13)14-11/h2-4H,5-9H2,1H3,(H2,13,14)
InChIKeyFTOKLKRJNPGFEP-UHFFFAOYSA-N
XLogP0.33
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone (CID 71683243) is 1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cccc(N)n2)CC1.
What is the InChIKey of 1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is FTOKLKRJNPGFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10(17)16-7-5-15(6-8-16)9-11-3-2-4-12(13)14-11/h2-4H,5-9H2,1H3,(H2,13,14).
What are the key properties of 1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone?
1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-amino-2-pyridinyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 71683243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).