1-(3-bromophenyl)-4-tert-butylpiperazine

C14H21BrN2 — CID 68819490

IUPAC1-(3-bromophenyl)-4-tert-butylpiperazine
SMILESCC(C)(C)N1CCN(c2cccc(Br)c2)CC1
InChIInChI=1S/C14H21BrN2/c1-14(2,3)17-9-7-16(8-10-17)13-6-4-5-12(15)11-13/h4-6,11H,7-10H2,1-3H3
InChIKeyWTBOADGBXZMWFR-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.37
Rot. Bonds1

About 1-(3-bromophenyl)-4-tert-butylpiperazine

1-(3-bromophenyl)-4-tert-butylpiperazine (PubChem CID 68819490) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-tert-butylpiperazine.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-tert-butylpiperazine
PubChem CID68819490
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(3-bromophenyl)-4-tert-butylpiperazine
SMILESCC(C)(C)N1CCN(c2cccc(Br)c2)CC1
InChIInChI=1S/C14H21BrN2/c1-14(2,3)17-9-7-16(8-10-17)13-6-4-5-12(15)11-13/h4-6,11H,7-10H2,1-3H3
InChIKeyWTBOADGBXZMWFR-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-(3-tert-butylphenyl)piperazine
CID 66600668
1-(3-bromophenyl)pyrrolidine
CID 7016459
3-bromo-5-(4-tert-butylpiperazin-1-yl)benzoic acid
CID 102822848
4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine
CID 163356432
4-(4-tert-butylpiperazin-1-yl)-2-methylphenol
CID 164764153
[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 170459085
1-tert-butyl-4-(4-tert-butylphenyl)piperazine
CID 59476465
1-(3-bromophenyl)-4-propylsulfonylpiperazine
CID 113079446
1-tert-butyl-4-(2-chloro-4-pyridinyl)piperazine
CID 103756521
2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine
CID 61429621
1-tert-butyl-4-(4-iodophenyl)piperazine
CID 154329607
3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane
CID 59367733

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-tert-butylpiperazine?
The IUPAC name of 1-(3-bromophenyl)-4-tert-butylpiperazine (CID 68819490) is 1-(3-bromophenyl)-4-tert-butylpiperazine.
What is the SMILES notation for 1-(3-bromophenyl)-4-tert-butylpiperazine?
The canonical SMILES for 1-(3-bromophenyl)-4-tert-butylpiperazine is CC(C)(C)N1CCN(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-4-tert-butylpiperazine?
The InChIKey is WTBOADGBXZMWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-14(2,3)17-9-7-16(8-10-17)13-6-4-5-12(15)11-13/h4-6,11H,7-10H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-4-tert-butylpiperazine?
1-(3-bromophenyl)-4-tert-butylpiperazine has a molecular weight of 297.24 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-tert-butylpiperazine is sourced from PubChem (CID 68819490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).