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

C14H20F2N2 — CID 82298840

IUPAC1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine
SMILESCC(C)(Cc1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C14H20F2N2/c1-14(2,18-7-5-17-6-8-18)10-11-9-12(15)3-4-13(11)16/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyPDUOOYLCTKRNFN-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.19
Rot. Bonds3

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

1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine (PubChem CID 82298840) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine.

Molecular Properties

Compound Name1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine
PubChem CID82298840
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine
SMILESCC(C)(Cc1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C14H20F2N2/c1-14(2,18-7-5-17-6-8-18)10-11-9-12(15)3-4-13(11)16/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyPDUOOYLCTKRNFN-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine
CID 82305165
2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119401623
1-(2-bromo-4-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599131
2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene
CID 66047963
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
CID 80551034
1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833840
2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline
CID 115255614
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
2-(1,4-diazepan-1-yl)-2-(2,5-difluorophenyl)propanoic acid
CID 60994245
2-methoxy-4-(2-methyl-2-piperazin-1-ylpropyl)phenol
CID 116987601
2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole
CID 116995172
1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine
CID 117389294

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine?
The IUPAC name of 1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine (CID 82298840) is 1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine.
What is the SMILES notation for 1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine?
The canonical SMILES for 1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine is CC(C)(Cc1cc(F)ccc1F)N1CCNCC1.
What is the InChIKey of 1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine?
The InChIKey is PDUOOYLCTKRNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-14(2,18-7-5-17-6-8-18)10-11-9-12(15)3-4-13(11)16/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of 1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine?
1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine has a molecular weight of 254.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine is sourced from PubChem (CID 82298840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).