1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine

C14H20BrClN2 — CID 64924314

IUPAC1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine
SMILESCCC(C)C1CN(c2ccc(Br)cc2Cl)CCN1
InChIInChI=1S/C14H20BrClN2/c1-3-10(2)13-9-18(7-6-17-13)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3
InChIKeyDHYDUWYZOCYLEC-UHFFFAOYSA-N
MW331.69 g/mol
LogP3.93
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine

1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine (PubChem CID 64924314) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine
PubChem CID64924314
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine
SMILESCCC(C)C1CN(c2ccc(Br)cc2Cl)CCN1
InChIInChI=1S/C14H20BrClN2/c1-3-10(2)13-9-18(7-6-17-13)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3
InChIKeyDHYDUWYZOCYLEC-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-(2,4-dibromophenyl)piperazine
CID 64924362
1-(5-bromo-2-methoxyphenyl)-3-butan-2-yl-1,4-diazepane
CID 64945226
3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine
CID 64926057
3-butan-2-yl-1-(2-fluoro-5-methylphenyl)piperazine
CID 64926215
1-(4-bromo-3-chlorophenyl)-3-butan-2-yl-1,4-diazepane
CID 107617323
3-butan-2-yl-1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine
CID 64923878
1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine
CID 64924670
3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine
CID 64954803
3-butan-2-yl-1-(2,6-difluorophenyl)piperazine
CID 64926019
3-butan-2-yl-1-[2-(difluoromethoxy)phenyl]piperazine
CID 64925822
1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane
CID 64944805
3-butan-2-yl-1-(4-chloro-2-methoxy-5-methylphenyl)-1,4-diazepane
CID 64944553

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine (CID 64924314) is 1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine is CCC(C)C1CN(c2ccc(Br)cc2Cl)CCN1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine?
The InChIKey is DHYDUWYZOCYLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-3-10(2)13-9-18(7-6-17-13)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine?
1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine has a molecular weight of 331.69 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine is sourced from PubChem (CID 64924314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).