1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine

C14H19FN2 — CID 82129251

IUPAC1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine
SMILESFc1ccc(C2(CN3CCNCC3)CC2)cc1
InChIInChI=1S/C14H19FN2/c15-13-3-1-12(2-4-13)14(5-6-14)11-17-9-7-16-8-10-17/h1-4,16H,5-11H2
InChIKeySOAUKURZWJBJGV-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.76
Rot. Bonds3

About 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine (PubChem CID 82129251) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine
PubChem CID82129251
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine
SMILESFc1ccc(C2(CN3CCNCC3)CC2)cc1
InChIInChI=1S/C14H19FN2/c15-13-3-1-12(2-4-13)14(5-6-14)11-17-9-7-16-8-10-17/h1-4,16H,5-11H2
InChIKeySOAUKURZWJBJGV-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine?
The IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine (CID 82129251) is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine is Fc1ccc(C2(CN3CCNCC3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine?
The InChIKey is SOAUKURZWJBJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c15-13-3-1-12(2-4-13)14(5-6-14)11-17-9-7-16-8-10-17/h1-4,16H,5-11H2.
What are the key properties of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine?
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine has a molecular weight of 234.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine is sourced from PubChem (CID 82129251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).