1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine

C14H18BrFN2 — CID 47646907

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine
SMILESFc1ccc(CN2CCN(C3CC3)CC2)cc1Br
InChIInChI=1S/C14H18BrFN2/c15-13-9-11(1-4-14(13)16)10-17-5-7-18(8-6-17)12-2-3-12/h1,4,9,12H,2-3,5-8,10H2
InChIKeyMGXYOSXZPGLCFR-UHFFFAOYSA-N
MW313.21 g/mol
LogP2.87
Rot. Bonds3

About 1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine

1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine (PubChem CID 47646907) has the molecular formula C14H18BrFN2 and a molecular weight of 313.21 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine
PubChem CID47646907
Molecular FormulaC14H18BrFN2
Molecular Weight313.21 g/mol
Exact Mass312.06
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine
SMILESFc1ccc(CN2CCN(C3CC3)CC2)cc1Br
InChIInChI=1S/C14H18BrFN2/c15-13-9-11(1-4-14(13)16)10-17-5-7-18(8-6-17)12-2-3-12/h1,4,9,12H,2-3,5-8,10H2
InChIKeyMGXYOSXZPGLCFR-UHFFFAOYSA-N
XLogP2.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
CID 765192
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylazepane
CID 63623198
4-[(3-bromo-4-fluorophenyl)methyl]piperazine-1-carboxylic acid
CID 142781841
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103657157
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986177
2-[4-[(3-bromo-4-fluorophenyl)methyl]piperazin-1-yl]ethanethioamide
CID 63336214
1-[(3-bromo-4-fluorophenyl)methyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77039195
1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine
CID 65244841
1-[(3-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388237
1-[(3-bromo-4-fluorophenyl)methyl]-4-butan-2-ylpiperazine
CID 62772303
2-[4-[(3-bromo-4-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 62824857

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine (CID 47646907) is 1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine is Fc1ccc(CN2CCN(C3CC3)CC2)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine?
The InChIKey is MGXYOSXZPGLCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2/c15-13-9-11(1-4-14(13)16)10-17-5-7-18(8-6-17)12-2-3-12/h1,4,9,12H,2-3,5-8,10H2.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine?
1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine has a molecular weight of 313.21 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine is sourced from PubChem (CID 47646907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).