1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone

C13H20N4O — CID 83122375

IUPAC1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc([C@@H](C)N)nc2)CC1
InChIInChI=1S/C13H20N4O/c1-10(14)13-4-3-12(9-15-13)17-7-5-16(6-8-17)11(2)18/h3-4,9-10H,5-8,14H2,1-2H3/t10-/m1/s1
InChIKeyYDFSDGPWBIJSHL-SNVBAGLBSA-N
MW248.33 g/mol
LogP0.77
Rot. Bonds2

About 1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone

1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 83122375) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone
PubChem CID83122375
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc([C@@H](C)N)nc2)CC1
InChIInChI=1S/C13H20N4O/c1-10(14)13-4-3-12(9-15-13)17-7-5-16(6-8-17)11(2)18/h3-4,9-10H,5-8,14H2,1-2H3/t10-/m1/s1
InChIKeyYDFSDGPWBIJSHL-SNVBAGLBSA-N
XLogP0.77
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 83122852
1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 83122934
1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83131846
(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042
1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide
CID 83122876
1-[6-(1-aminoethyl)-3-pyridinyl]piperidin-4-ol
CID 83122211
(1R)-1-[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]ethanamine
CID 83122006
(1R)-1-[5-[4-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]ethanamine
CID 83122532
1-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 103496947
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-methylpropanamide
CID 113026142
1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626037
1-[5-(1,1-dioxo-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
CID 114083488

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone (CID 83122375) is 1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc([C@@H](C)N)nc2)CC1.
What is the InChIKey of 1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is YDFSDGPWBIJSHL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(14)13-4-3-12(9-15-13)17-7-5-16(6-8-17)11(2)18/h3-4,9-10H,5-8,14H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 83122375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).