1-(3,3-difluorocyclobutyl)piperazine

C8H14F2N2 — CID 126739503

IUPAC1-(3,3-difluorocyclobutyl)piperazine
SMILESFC1(F)CC(N2CCNCC2)C1
InChIInChI=1S/C8H14F2N2/c9-8(10)5-7(6-8)12-3-1-11-2-4-12/h7,11H,1-6H2
InChIKeyXSZMGPVGSMJLNN-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.69
Rot. Bonds1

About 1-(3,3-difluorocyclobutyl)piperazine

1-(3,3-difluorocyclobutyl)piperazine (PubChem CID 126739503) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)piperazine.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)piperazine
PubChem CID126739503
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name1-(3,3-difluorocyclobutyl)piperazine
SMILESFC1(F)CC(N2CCNCC2)C1
InChIInChI=1S/C8H14F2N2/c9-8(10)5-7(6-8)12-3-1-11-2-4-12/h7,11H,1-6H2
InChIKeyXSZMGPVGSMJLNN-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-difluorocyclobutyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine
CID 146013256
7-methyl-2-piperazin-1-yl-7-azaspiro[3.5]nonane
CID 142390652
1-cyclopentylpiperazine;ethane
CID 143559542
1-cycloheptylpiperazine;methane
CID 143122535
1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
CID 103968297
1,4-diazabicyclo[6.2.0]decane
CID 118210284
4-piperazin-1-ylcyclohexan-1-ol
CID 21256600
1-piperidin-4-yl-1,4-diazepane
CID 53414008
1-(4-oxaspiro[2.5]octan-7-yl)piperazine
CID 82399396
4-(3,3-difluoropyrrolidin-1-yl)piperidine
CID 53488020
3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine
CID 156735219
3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride
CID 156735218

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)piperazine?
The IUPAC name of 1-(3,3-difluorocyclobutyl)piperazine (CID 126739503) is 1-(3,3-difluorocyclobutyl)piperazine.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)piperazine?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)piperazine is FC1(F)CC(N2CCNCC2)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)piperazine?
The InChIKey is XSZMGPVGSMJLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c9-8(10)5-7(6-8)12-3-1-11-2-4-12/h7,11H,1-6H2.
What are the key properties of 1-(3,3-difluorocyclobutyl)piperazine?
1-(3,3-difluorocyclobutyl)piperazine has a molecular weight of 176.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)piperazine is sourced from PubChem (CID 126739503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).