1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine

C13H18F2N2 — CID 82292772

IUPAC1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine
SMILESCC(C)(c1cc(F)cc(F)c1)N1CCNCC1
InChIInChI=1S/C13H18F2N2/c1-13(2,17-5-3-16-4-6-17)10-7-11(14)9-12(15)8-10/h7-9,16H,3-6H2,1-2H3
InChIKeyXCMPUMXBXSREAK-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.11
Rot. Bonds2

About 1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine

1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine (PubChem CID 82292772) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine
PubChem CID82292772
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine
SMILESCC(C)(c1cc(F)cc(F)c1)N1CCNCC1
InChIInChI=1S/C13H18F2N2/c1-13(2,17-5-3-16-4-6-17)10-7-11(14)9-12(15)8-10/h7-9,16H,3-6H2,1-2H3
InChIKeyXCMPUMXBXSREAK-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine
CID 82298206
1-[2-(3,5-difluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 178017051
1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 105412044
1-[(1S)-1-(3,5-difluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277274
1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine
CID 95480576
1-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171165250
1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-yl]piperazine
CID 95479293
2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide
CID 80550540
1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine
CID 82501523
2-(2-piperazin-1-ylpropan-2-yl)-1H-indole
CID 116995174
1-[2-(4-propan-2-yloxyphenyl)propan-2-yl]piperazine
CID 82303005
1-(4-tert-butyl-2,6-difluorophenyl)piperazine
CID 164933901

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine?
The IUPAC name of 1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine (CID 82292772) is 1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine.
What is the SMILES notation for 1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine?
The canonical SMILES for 1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine is CC(C)(c1cc(F)cc(F)c1)N1CCNCC1.
What is the InChIKey of 1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine?
The InChIKey is XCMPUMXBXSREAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-13(2,17-5-3-16-4-6-17)10-7-11(14)9-12(15)8-10/h7-9,16H,3-6H2,1-2H3.
What are the key properties of 1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine?
1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine has a molecular weight of 240.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine is sourced from PubChem (CID 82292772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).