1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone

C9H19N3O — CID 96554956

IUPAC1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCN)C[C@H]1C
InChIInChI=1S/C9H19N3O/c1-8-7-11(4-3-10)5-6-12(8)9(2)13/h8H,3-7,10H2,1-2H3/t8-/m1/s1
InChIKeyRJSDFEGXFOZNRW-MRVPVSSYSA-N
MW185.27 g/mol
LogP-0.50
Rot. Bonds2

About 1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone

1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone (PubChem CID 96554956) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone
PubChem CID96554956
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCN)C[C@H]1C
InChIInChI=1S/C9H19N3O/c1-8-7-11(4-3-10)5-6-12(8)9(2)13/h8H,3-7,10H2,1-2H3/t8-/m1/s1
InChIKeyRJSDFEGXFOZNRW-MRVPVSSYSA-N
XLogP-0.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-2-methylpiperazine-1-carboxylic acid
CID 67016354
2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine
CID 129181309
4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid
CID 68651622
2-(3,4-dimethyl-1,4-diazepan-1-yl)ethanamine
CID 115102298
2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine
CID 166175443
1-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-chloroethanone
CID 96554966
1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 141277856
N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide
CID 23450282
3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine
CID 54370845
6-(3,4-dimethylpiperazin-1-yl)hexan-2-one
CID 63610626
2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid
CID 143678012
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102783447

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone (CID 96554956) is 1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone is CC(=O)N1CCN(CCN)C[C@H]1C.
What is the InChIKey of 1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone?
The InChIKey is RJSDFEGXFOZNRW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8-7-11(4-3-10)5-6-12(8)9(2)13/h8H,3-7,10H2,1-2H3/t8-/m1/s1.
What are the key properties of 1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone?
1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone has a molecular weight of 185.27 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(2-aminoethyl)-2-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 96554956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).