1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine

C16H23FN2O2 — CID 2783121

IUPAC1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine
SMILESFc1ccc(C2(CCCN3CCNCC3)OCCO2)cc1
InChIInChI=1S/C16H23FN2O2/c17-15-4-2-14(3-5-15)16(20-12-13-21-16)6-1-9-19-10-7-18-8-11-19/h2-5,18H,1,6-13H2
InChIKeySTZDOTGIRWIQNS-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.71
Rot. Bonds5

About 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine

1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine (PubChem CID 2783121) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine.

Molecular Properties

Compound Name1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine
PubChem CID2783121
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine
SMILESFc1ccc(C2(CCCN3CCNCC3)OCCO2)cc1
InChIInChI=1S/C16H23FN2O2/c17-15-4-2-14(3-5-15)16(20-12-13-21-16)6-1-9-19-10-7-18-8-11-19/h2-5,18H,1,6-13H2
InChIKeySTZDOTGIRWIQNS-UHFFFAOYSA-N
XLogP1.71
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine?
The IUPAC name of 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine (CID 2783121) is 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine.
What is the SMILES notation for 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine?
The canonical SMILES for 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine is Fc1ccc(C2(CCCN3CCNCC3)OCCO2)cc1.
What is the InChIKey of 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine?
The InChIKey is STZDOTGIRWIQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-15-4-2-14(3-5-15)16(20-12-13-21-16)6-1-9-19-10-7-18-8-11-19/h2-5,18H,1,6-13H2.
What are the key properties of 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine?
1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine has a molecular weight of 294.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine is sourced from PubChem (CID 2783121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).