1-[2-(2,5-difluorophenyl)propyl]piperazine

C13H18F2N2 — CID 82292755

IUPAC1-[2-(2,5-difluorophenyl)propyl]piperazine
SMILESCC(CN1CCNCC1)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2/c1-10(9-17-6-4-16-5-7-17)12-8-11(14)2-3-13(12)15/h2-3,8,10,16H,4-7,9H2,1H3
InChIKeyQCSZBQGCYKYOFJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.97
Rot. Bonds3

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

1-[2-(2,5-difluorophenyl)propyl]piperazine (PubChem CID 82292755) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)propyl]piperazine
PubChem CID82292755
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[2-(2,5-difluorophenyl)propyl]piperazine
SMILESCC(CN1CCNCC1)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2/c1-10(9-17-6-4-16-5-7-17)12-8-11(14)2-3-13(12)15/h2-3,8,10,16H,4-7,9H2,1H3
InChIKeyQCSZBQGCYKYOFJ-UHFFFAOYSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine
CID 82510778
1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82291713
1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride
CID 120834349
1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine
CID 171305268
1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182462
1-[(1S)-1-(2,5-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171277042
2-(1-piperazin-1-ylpropan-2-yl)phenol
CID 83837907
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 107520830
1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine
CID 82131506
1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
CID 82263447
(2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174342

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)propyl]piperazine?
The IUPAC name of 1-[2-(2,5-difluorophenyl)propyl]piperazine (CID 82292755) is 1-[2-(2,5-difluorophenyl)propyl]piperazine.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)propyl]piperazine?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)propyl]piperazine is CC(CN1CCNCC1)c1cc(F)ccc1F.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)propyl]piperazine?
The InChIKey is QCSZBQGCYKYOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-10(9-17-6-4-16-5-7-17)12-8-11(14)2-3-13(12)15/h2-3,8,10,16H,4-7,9H2,1H3.
What are the key properties of 1-[2-(2,5-difluorophenyl)propyl]piperazine?
1-[2-(2,5-difluorophenyl)propyl]piperazine has a molecular weight of 240.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)propyl]piperazine is sourced from PubChem (CID 82292755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).