1-(1-fluoroethenyl)-4-propan-2-ylpiperazine

C9H17FN2 — CID 166844111

IUPAC1-(1-fluoroethenyl)-4-propan-2-ylpiperazine
SMILESC=C(F)N1CCN(C(C)C)CC1
InChIInChI=1S/C9H17FN2/c1-8(2)11-4-6-12(7-5-11)9(3)10/h8H,3-7H2,1-2H3
InChIKeyOZDQVKJVMIZXMC-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.45
Rot. Bonds2

About 1-(1-fluoroethenyl)-4-propan-2-ylpiperazine

1-(1-fluoroethenyl)-4-propan-2-ylpiperazine (PubChem CID 166844111) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(1-fluoroethenyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(1-fluoroethenyl)-4-propan-2-ylpiperazine
PubChem CID166844111
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name1-(1-fluoroethenyl)-4-propan-2-ylpiperazine
SMILESC=C(F)N1CCN(C(C)C)CC1
InChIInChI=1S/C9H17FN2/c1-8(2)11-4-6-12(7-5-11)9(3)10/h8H,3-7H2,1-2H3
InChIKeyOZDQVKJVMIZXMC-UHFFFAOYSA-N
XLogP1.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethenyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(1-fluoroethenyl)-4-propan-2-ylpiperazine (CID 166844111) is 1-(1-fluoroethenyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(1-fluoroethenyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(1-fluoroethenyl)-4-propan-2-ylpiperazine is C=C(F)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-(1-fluoroethenyl)-4-propan-2-ylpiperazine?
The InChIKey is OZDQVKJVMIZXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-8(2)11-4-6-12(7-5-11)9(3)10/h8H,3-7H2,1-2H3.
What are the key properties of 1-(1-fluoroethenyl)-4-propan-2-ylpiperazine?
1-(1-fluoroethenyl)-4-propan-2-ylpiperazine has a molecular weight of 172.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethenyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 166844111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).