1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium

C15H18FN2O+ — CID 6936917

IUPAC1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium
SMILESFc1ccc(N2CC[NH+](Cc3ccoc3)CC2)cc1
InChIInChI=1S/C15H17FN2O/c16-14-1-3-15(4-2-14)18-8-6-17(7-9-18)11-13-5-10-19-12-13/h1-5,10,12H,6-9,11H2/p+1
InChIKeySNVLCYGMJMNGSP-UHFFFAOYSA-O
MW261.32 g/mol
LogP1.32
Rot. Bonds3

About 1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium

1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium (PubChem CID 6936917) has the molecular formula C15H18FN2O+ and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium
PubChem CID6936917
Molecular FormulaC15H18FN2O+
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium
SMILESFc1ccc(N2CC[NH+](Cc3ccoc3)CC2)cc1
InChIInChI=1S/C15H17FN2O/c16-14-1-3-15(4-2-14)18-8-6-17(7-9-18)11-13-5-10-19-12-13/h1-5,10,12H,6-9,11H2/p+1
InChIKeySNVLCYGMJMNGSP-UHFFFAOYSA-O
XLogP1.32
TPSA20.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium?
The IUPAC name of 1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium (CID 6936917) is 1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium?
The canonical SMILES for 1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium is Fc1ccc(N2CC[NH+](Cc3ccoc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium?
The InChIKey is SNVLCYGMJMNGSP-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17FN2O/c16-14-1-3-15(4-2-14)18-8-6-17(7-9-18)11-13-5-10-19-12-13/h1-5,10,12H,6-9,11H2/p+1.
What are the key properties of 1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium?
1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium has a molecular weight of 261.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(furan-3-ylmethyl)piperazin-4-ium is sourced from PubChem (CID 6936917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).