[3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine

C15H22FN3S — CID 24691210

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine
SMILESNCC1(N2CCN(c3ccc(F)cc3)CC2)CCSC1
InChIInChI=1S/C15H22FN3S/c16-13-1-3-14(4-2-13)18-6-8-19(9-7-18)15(11-17)5-10-20-12-15/h1-4H,5-12,17H2
InChIKeyCLJVLCGJIWGEOI-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.78
Rot. Bonds3

About [3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine

[3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine (PubChem CID 24691210) has the molecular formula C15H22FN3S and a molecular weight of 295.43 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine
PubChem CID24691210
Molecular FormulaC15H22FN3S
Molecular Weight295.43 g/mol
Exact Mass295.15
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine
SMILESNCC1(N2CCN(c3ccc(F)cc3)CC2)CCSC1
InChIInChI=1S/C15H22FN3S/c16-13-1-3-14(4-2-13)18-6-8-19(9-7-18)15(11-17)5-10-20-12-15/h1-4H,5-12,17H2
InChIKeyCLJVLCGJIWGEOI-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine (CID 24691210) is [3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine is NCC1(N2CCN(c3ccc(F)cc3)CC2)CCSC1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine?
The InChIKey is CLJVLCGJIWGEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3S/c16-13-1-3-14(4-2-13)18-6-8-19(9-7-18)15(11-17)5-10-20-12-15/h1-4H,5-12,17H2.
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine?
[3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine has a molecular weight of 295.43 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]thiolan-3-yl]methanamine is sourced from PubChem (CID 24691210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).