methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate

C13H25FN2O2 — CID 114280347

IUPACmethyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CCCCCF)CC1
InChIInChI=1S/C13H25FN2O2/c1-18-13(17)5-8-16-11-9-15(10-12-16)7-4-2-3-6-14/h2-12H2,1H3
InChIKeyLSSVIEGGTOKQOZ-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.31
Rot. Bonds8

About methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate

methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate (PubChem CID 114280347) has the molecular formula C13H25FN2O2 and a molecular weight of 260.35 g/mol. Its IUPAC name is methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate
PubChem CID114280347
Molecular FormulaC13H25FN2O2
Molecular Weight260.35 g/mol
Exact Mass260.19
IUPAC Namemethyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CCCCCF)CC1
InChIInChI=1S/C13H25FN2O2/c1-18-13(17)5-8-16-11-9-15(10-12-16)7-4-2-3-6-14/h2-12H2,1H3
InChIKeyLSSVIEGGTOKQOZ-UHFFFAOYSA-N
XLogP1.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate 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 methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate (CID 114280347) is methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(CCCCCF)CC1.
What is the InChIKey of methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate?
The InChIKey is LSSVIEGGTOKQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O2/c1-18-13(17)5-8-16-11-9-15(10-12-16)7-4-2-3-6-14/h2-12H2,1H3.
What are the key properties of methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate?
methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate has a molecular weight of 260.35 g/mol, XLogP of 1.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(5-fluoropentyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 114280347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).