1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine

C10H14F2N2 — CID 91293090

IUPAC1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine
SMILESFC1=CC(F)CC(N2CCNCC2)=C1
InChIInChI=1S/C10H14F2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-6,9,13H,1-4,7H2
InChIKeyPXAZWZLWUCGRIX-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.37
Rot. Bonds1

About 1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine

1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine (PubChem CID 91293090) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine
PubChem CID91293090
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine
SMILESFC1=CC(F)CC(N2CCNCC2)=C1
InChIInChI=1S/C10H14F2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-6,9,13H,1-4,7H2
InChIKeyPXAZWZLWUCGRIX-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.37
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
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-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 123598247
1-(6-Fluorocyclohepta-1,6-dien-1-yl)piperazine
CID 123623423
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-sulfanylpiperazine
CID 123854731

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine?
The IUPAC name of 1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine (CID 91293090) is 1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine.
What is the SMILES notation for 1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine?
The canonical SMILES for 1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine is FC1=CC(F)CC(N2CCNCC2)=C1.
What is the InChIKey of 1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine?
The InChIKey is PXAZWZLWUCGRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-6,9,13H,1-4,7H2.
What are the key properties of 1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine?
1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine has a molecular weight of 200.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorocyclohexa-1,3-dien-1-yl)piperazine is sourced from PubChem (CID 91293090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).