3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine

C13H19F2N3 — CID 82482240

IUPAC3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C13H19F2N3/c14-11-2-3-12(15)13(10-11)18-8-6-17(7-9-18)5-1-4-16/h2-3,10H,1,4-9,16H2
InChIKeyYMRRNFPUVFUAQZ-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.44
Rot. Bonds4

About 3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine

3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine (PubChem CID 82482240) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine
PubChem CID82482240
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C13H19F2N3/c14-11-2-3-12(15)13(10-11)18-8-6-17(7-9-18)5-1-4-16/h2-3,10H,1,4-9,16H2
InChIKeyYMRRNFPUVFUAQZ-UHFFFAOYSA-N
XLogP1.44
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanol
CID 19837148
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119887909
2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone
CID 82482185
1-(2,5-difluorophenyl)piperidine
CID 22638080
1-(2,4-difluorophenyl)-4-hexylpiperazine
CID 59254947
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
[3-[[4-(2,5-difluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752944
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 111824467
3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine
CID 82346723
2-(4-ethylpiperazin-1-yl)-4-fluoroaniline
CID 62377784
3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine
CID 21136388

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine (CID 82482240) is 3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine is NCCCN1CCN(c2cc(F)ccc2F)CC1.
What is the InChIKey of 3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine?
The InChIKey is YMRRNFPUVFUAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c14-11-2-3-12(15)13(10-11)18-8-6-17(7-9-18)5-1-4-16/h2-3,10H,1,4-9,16H2.
What are the key properties of 3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine?
3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 82482240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).