1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine

C16H24BrN3 — CID 117017904

IUPAC1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine
SMILESCC1(C)NCCC1N1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H24BrN3/c1-16(2)15(7-8-18-16)20-11-9-19(10-12-20)14-5-3-13(17)4-6-14/h3-6,15,18H,7-12H2,1-2H3
InChIKeyFCHAAGKYJISKQU-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.71
Rot. Bonds2

About 1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine

1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine (PubChem CID 117017904) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine
PubChem CID117017904
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine
SMILESCC1(C)NCCC1N1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H24BrN3/c1-16(2)15(7-8-18-16)20-11-9-19(10-12-20)14-5-3-13(17)4-6-14/h3-6,15,18H,7-12H2,1-2H3
InChIKeyFCHAAGKYJISKQU-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine?
The IUPAC name of 1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine (CID 117017904) is 1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine.
What is the SMILES notation for 1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine?
The canonical SMILES for 1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine is CC1(C)NCCC1N1CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine?
The InChIKey is FCHAAGKYJISKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-16(2)15(7-8-18-16)20-11-9-19(10-12-20)14-5-3-13(17)4-6-14/h3-6,15,18H,7-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine?
1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine has a molecular weight of 338.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine is sourced from PubChem (CID 117017904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).