1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine

C11H17FN2 — CID 123623423

IUPAC1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine
SMILESFC1=CC(N2CCNCC2)=CCCC1
InChIInChI=1S/C11H17FN2/c12-10-3-1-2-4-11(9-10)14-7-5-13-6-8-14/h4,9,13H,1-3,5-8H2
InChIKeyKDPDHCYMAPTXDS-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.81
Rot. Bonds1

About 1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine

1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine (PubChem CID 123623423) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine
PubChem CID123623423
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine
SMILESFC1=CC(N2CCNCC2)=CCCC1
InChIInChI=1S/C11H17FN2/c12-10-3-1-2-4-11(9-10)14-7-5-13-6-8-14/h4,9,13H,1-3,5-8H2
InChIKeyKDPDHCYMAPTXDS-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Fluorocyclohexa-1,5-dien-1-yl)piperazine
CID 89140548
(1S)-3-fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473881
3-Fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473979
(1S)-3-fluoro-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 89473983
1-(3,5-Difluorocyclohexa-1,3-dien-1-yl)piperazine
CID 91293090
1-(2-Fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
CID 123503621
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
1-(2-Fluorocyclohepta-2,4,6-trien-1-yl)piperazine
CID 142112896
Ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 142167043
N'-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 142349477
1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine
CID 142862529
1-(5-Fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)piperazine
CID 142930825

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine?
The IUPAC name of 1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine (CID 123623423) is 1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine.
What is the SMILES notation for 1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine?
The canonical SMILES for 1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine is FC1=CC(N2CCNCC2)=CCCC1.
What is the InChIKey of 1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine?
The InChIKey is KDPDHCYMAPTXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c12-10-3-1-2-4-11(9-10)14-7-5-13-6-8-14/h4,9,13H,1-3,5-8H2.
What are the key properties of 1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine?
1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine has a molecular weight of 196.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorocyclohepta-1,6-dien-1-yl)piperazine is sourced from PubChem (CID 123623423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).