1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine

C10H15FN2 — CID 70542288

IUPAC1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine
SMILESFC1(N2CCNCC2)C=CC=CC1
InChIInChI=1S/C10H15FN2/c11-10(4-2-1-3-5-10)13-8-6-12-7-9-13/h1-4,12H,5-9H2
InChIKeyUTXZVSIQRNMZOV-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.07
Rot. Bonds1

About 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine

1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine (PubChem CID 70542288) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine
PubChem CID70542288
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine
SMILESFC1(N2CCNCC2)C=CC=CC1
InChIInChI=1S/C10H15FN2/c11-10(4-2-1-3-5-10)13-8-6-12-7-9-13/h1-4,12H,5-9H2
InChIKeyUTXZVSIQRNMZOV-UHFFFAOYSA-N
XLogP1.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
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-fluorocyclohexa-2,4-dien-1-yl)piperazine?
The IUPAC name of 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine (CID 70542288) is 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine.
What is the SMILES notation for 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine?
The canonical SMILES for 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine is FC1(N2CCNCC2)C=CC=CC1.
What is the InChIKey of 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine?
The InChIKey is UTXZVSIQRNMZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c11-10(4-2-1-3-5-10)13-8-6-12-7-9-13/h1-4,12H,5-9H2.
What are the key properties of 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine?
1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine has a molecular weight of 182.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperazine is sourced from PubChem (CID 70542288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).