1-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine

C10H15FN2 — CID 89140548

IUPAC1-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine
SMILESFC1C=CC(N2CCNCC2)=CC1
InChIInChI=1S/C10H15FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1,3-4,9,12H,2,5-8H2
InChIKeyPMKLTYYWPWEFKI-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.07
Rot. Bonds1

About 1-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine

1-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine (PubChem CID 89140548) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine
PubChem CID89140548
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine
SMILESFC1C=CC(N2CCNCC2)=CC1
InChIInChI=1S/C10H15FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1,3-4,9,12H,2,5-8H2
InChIKeyPMKLTYYWPWEFKI-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

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Related Compounds

Hexahydroquinoxaline
CID 69378669
N-methyltetrahydroquinoxaline
CID 129794484
1-(6-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 67558052
1-(1-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 70542288
1-(5,5,6,6-Tetrafluorocyclohexa-1,3-dien-1-yl)piperazine
CID 87668495
(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
6-(4-Ethylpiperazin-1-yl)-6-fluorocyclohexa-2,4-dien-1-amine
CID 118296270
1-(2-Fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
CID 123503621
1-(6-Fluorocyclohepta-1,6-dien-1-yl)piperazine
CID 123623423

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine?
The IUPAC name of 1-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine (CID 89140548) is 1-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine.
What is the SMILES notation for 1-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine?
The canonical SMILES for 1-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine is FC1C=CC(N2CCNCC2)=CC1.
What is the InChIKey of 1-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine?
The InChIKey is PMKLTYYWPWEFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1,3-4,9,12H,2,5-8H2.
What are the key properties of 1-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine?
1-(4-fluorocyclohexa-1,5-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-(4-fluorocyclohexa-1,5-dien-1-yl)piperazine is sourced from PubChem (CID 89140548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).