2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline

C13H19F2N3 — CID 115255614

IUPAC2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline
SMILESCC(CNc1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C13H19F2N3/c1-10(18-6-4-16-5-7-18)9-17-13-8-11(14)2-3-12(13)15/h2-3,8,10,16-17H,4-7,9H2,1H3
InChIKeyACNDLZCPDBWBCH-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.67
Rot. Bonds4

About 2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline

2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline (PubChem CID 115255614) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline
PubChem CID115255614
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline
SMILESCC(CNc1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C13H19F2N3/c1-10(18-6-4-16-5-7-18)9-17-13-8-11(14)2-3-12(13)15/h2-3,8,10,16-17H,4-7,9H2,1H3
InChIKeyACNDLZCPDBWBCH-UHFFFAOYSA-N
XLogP1.67
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255765
3-(2,5-difluoroanilino)-2-methylpropanenitrile
CID 43367507
N-(2-piperazin-1-ylpropyl)thiophen-2-amine
CID 115255603
N-(2-piperazin-1-ylpropyl)-1H-pyrrol-3-amine
CID 115255619
1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine
CID 171305268
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993
1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182462
1-[(1S)-1-(2,5-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171277042
N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206228
1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954814
1-[2-(2,5-difluorophenyl)propyl]piperazine
CID 82292755
1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine
CID 82298840

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline?
The IUPAC name of 2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline (CID 115255614) is 2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline.
What is the SMILES notation for 2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline?
The canonical SMILES for 2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline is CC(CNc1cc(F)ccc1F)N1CCNCC1.
What is the InChIKey of 2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline?
The InChIKey is ACNDLZCPDBWBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-10(18-6-4-16-5-7-18)9-17-13-8-11(14)2-3-12(13)15/h2-3,8,10,16-17H,4-7,9H2,1H3.
What are the key properties of 2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline?
2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline has a molecular weight of 255.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(2-piperazin-1-ylpropyl)aniline is sourced from PubChem (CID 115255614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).