1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine

C11H17FN2 — CID 145187044

IUPAC1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine
SMILESFC1=CCCC=C1CN1CCNCC1
InChIInChI=1S/C11H17FN2/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14/h3-4,13H,1-2,5-9H2
InChIKeyAGCRBSSVKNSFFE-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.47
Rot. Bonds2

About 1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine

1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine (PubChem CID 145187044) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine
PubChem CID145187044
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine
SMILESFC1=CCCC=C1CN1CCNCC1
InChIInChI=1S/C11H17FN2/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14/h3-4,13H,1-2,5-9H2
InChIKeyAGCRBSSVKNSFFE-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine?
The IUPAC name of 1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine (CID 145187044) is 1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine.
What is the SMILES notation for 1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine?
The canonical SMILES for 1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine is FC1=CCCC=C1CN1CCNCC1.
What is the InChIKey of 1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine?
The InChIKey is AGCRBSSVKNSFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14/h3-4,13H,1-2,5-9H2.
What are the key properties of 1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine?
1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine has a molecular weight of 196.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine is sourced from PubChem (CID 145187044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).