1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine

C9H19FN2O — CID 89352986

IUPAC1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN([C@H](C)F)CC1
InChIInChI=1S/C9H19FN2O/c1-9(10)12-5-3-11(4-6-12)7-8-13-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyLSVWNBLNRNYKPJ-SECBINFHSA-N
MW190.26 g/mol
LogP0.57
Rot. Bonds4

About 1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine

1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine (PubChem CID 89352986) has the molecular formula C9H19FN2O and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine
PubChem CID89352986
Molecular FormulaC9H19FN2O
Molecular Weight190.26 g/mol
Exact Mass190.15
IUPAC Name1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN([C@H](C)F)CC1
InChIInChI=1S/C9H19FN2O/c1-9(10)12-5-3-11(4-6-12)7-8-13-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyLSVWNBLNRNYKPJ-SECBINFHSA-N
XLogP0.57
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine (CID 89352986) is 1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine is COCCN1CCN([C@H](C)F)CC1.
What is the InChIKey of 1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine?
The InChIKey is LSVWNBLNRNYKPJ-SECBINFHSA-N. The full InChI is InChI=1S/C9H19FN2O/c1-9(10)12-5-3-11(4-6-12)7-8-13-2/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine?
1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine has a molecular weight of 190.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 89352986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).