1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine

C13H17BrF2N2 — CID 102855240

IUPAC1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine
SMILESCCCC1CN(c2cc(Br)c(F)cc2F)CCN1
InChIInChI=1S/C13H17BrF2N2/c1-2-3-9-8-18(5-4-17-9)13-6-10(14)11(15)7-12(13)16/h6-7,9,17H,2-5,8H2,1H3
InChIKeyNLANTNDXLPCJOX-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.31
Rot. Bonds3

About 1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine

1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine (PubChem CID 102855240) has the molecular formula C13H17BrF2N2 and a molecular weight of 319.19 g/mol. Its IUPAC name is 1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine
PubChem CID102855240
Molecular FormulaC13H17BrF2N2
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine
SMILESCCCC1CN(c2cc(Br)c(F)cc2F)CCN1
InChIInChI=1S/C13H17BrF2N2/c1-2-3-9-8-18(5-4-17-9)13-6-10(14)11(15)7-12(13)16/h6-7,9,17H,2-5,8H2,1H3
InChIKeyNLANTNDXLPCJOX-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-3-propylpiperazine
CID 64925789
1-(4-bromo-2-fluorophenyl)-3-propyl-1,4-diazepane
CID 64943768
1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane
CID 64943890
1-(3,4-difluorophenyl)-3-propylpiperazine
CID 64923821
1-(4-fluoro-2-iodophenyl)-3-propylpiperazine
CID 79771519
1-(4-bromophenyl)-3-propylpiperazine
CID 64925281
1-(3-bromo-4-iodophenyl)-3-propylpiperazine
CID 114262416
1-[4-bromo-2-(trifluoromethoxy)phenyl]-3-propylpiperazine
CID 103193691
1-(2-bromo-4-methylphenyl)-3-propyl-1,4-diazepane
CID 64944752
1-(2,5-difluorophenyl)-3-ethylpiperazine
CID 64925171
1-(4-chlorophenyl)-3-propylpiperazine
CID 64925256
4-bromo-5-fluoro-2-(3-propylpyrrolidin-1-yl)aniline
CID 116736254

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine?
The IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine (CID 102855240) is 1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine.
What is the SMILES notation for 1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine?
The canonical SMILES for 1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine is CCCC1CN(c2cc(Br)c(F)cc2F)CCN1.
What is the InChIKey of 1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine?
The InChIKey is NLANTNDXLPCJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF2N2/c1-2-3-9-8-18(5-4-17-9)13-6-10(14)11(15)7-12(13)16/h6-7,9,17H,2-5,8H2,1H3.
What are the key properties of 1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine?
1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine has a molecular weight of 319.19 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine is sourced from PubChem (CID 102855240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).