(2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one

C11H23N3O2 — CID 129393995

IUPAC(2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one
SMILESCCOCCN1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C11H23N3O2/c1-3-16-9-8-13-4-6-14(7-5-13)11(15)10(2)12/h10H,3-9,12H2,1-2H3/t10-/m0/s1
InChIKeyQVBYKXVAFSGBCO-JTQLQIEISA-N
MW229.32 g/mol
LogP-0.49
Rot. Bonds5

About (2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one

(2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one (PubChem CID 129393995) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one
PubChem CID129393995
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one
SMILESCCOCCN1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C11H23N3O2/c1-3-16-9-8-13-4-6-14(7-5-13)11(15)10(2)12/h10H,3-9,12H2,1-2H3/t10-/m0/s1
InChIKeyQVBYKXVAFSGBCO-JTQLQIEISA-N
XLogP-0.49
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one (CID 129393995) is (2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one is CCOCCN1CCN(C(=O)[C@H](C)N)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one?
The InChIKey is QVBYKXVAFSGBCO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-16-9-8-13-4-6-14(7-5-13)11(15)10(2)12/h10H,3-9,12H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one has a molecular weight of 229.32 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 129393995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).