1-(5-fluorohept-1-en-3-yl)piperazine

C11H21FN2 — CID 174315995

IUPAC1-(5-fluorohept-1-en-3-yl)piperazine
SMILESC=CC(CC(F)CC)N1CCNCC1
InChIInChI=1S/C11H21FN2/c1-3-10(12)9-11(4-2)14-7-5-13-6-8-14/h4,10-11,13H,2-3,5-9H2,1H3
InChIKeyNIMKHLFRSUPJNB-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.58
Rot. Bonds5

About 1-(5-fluorohept-1-en-3-yl)piperazine

1-(5-fluorohept-1-en-3-yl)piperazine (PubChem CID 174315995) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 1-(5-fluorohept-1-en-3-yl)piperazine.

Molecular Properties

Compound Name1-(5-fluorohept-1-en-3-yl)piperazine
PubChem CID174315995
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name1-(5-fluorohept-1-en-3-yl)piperazine
SMILESC=CC(CC(F)CC)N1CCNCC1
InChIInChI=1S/C11H21FN2/c1-3-10(12)9-11(4-2)14-7-5-13-6-8-14/h4,10-11,13H,2-3,5-9H2,1H3
InChIKeyNIMKHLFRSUPJNB-UHFFFAOYSA-N
XLogP1.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluorohept-1-en-3-yl)piperazine?
The IUPAC name of 1-(5-fluorohept-1-en-3-yl)piperazine (CID 174315995) is 1-(5-fluorohept-1-en-3-yl)piperazine.
What is the SMILES notation for 1-(5-fluorohept-1-en-3-yl)piperazine?
The canonical SMILES for 1-(5-fluorohept-1-en-3-yl)piperazine is C=CC(CC(F)CC)N1CCNCC1.
What is the InChIKey of 1-(5-fluorohept-1-en-3-yl)piperazine?
The InChIKey is NIMKHLFRSUPJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-3-10(12)9-11(4-2)14-7-5-13-6-8-14/h4,10-11,13H,2-3,5-9H2,1H3.
What are the key properties of 1-(5-fluorohept-1-en-3-yl)piperazine?
1-(5-fluorohept-1-en-3-yl)piperazine has a molecular weight of 200.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluorohept-1-en-3-yl)piperazine is sourced from PubChem (CID 174315995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).