(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C17H16BrClN2O — CID 1069932

IUPAC(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H16BrClN2O/c18-14-6-4-13(5-7-14)17(22)21-10-8-20(9-11-21)16-3-1-2-15(19)12-16/h1-7,12H,8-11H2
InChIKeyKQBLXIUMTYRCFA-UHFFFAOYSA-N
MW379.69 g/mol
LogP4.06
Rot. Bonds2

About (4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 1069932) has the molecular formula C17H16BrClN2O and a molecular weight of 379.69 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID1069932
Molecular FormulaC17H16BrClN2O
Molecular Weight379.69 g/mol
Exact Mass378.01
IUPAC Name(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H16BrClN2O/c18-14-6-4-13(5-7-14)17(22)21-10-8-20(9-11-21)16-3-1-2-15(19)12-16/h1-7,12H,8-11H2
InChIKeyKQBLXIUMTYRCFA-UHFFFAOYSA-N
XLogP4.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.69
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043128
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079578
(4-bromophenyl)-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 108749560
[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 100751140
[4-(3-chlorophenyl)piperazin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 110854505
[4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 113077272
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 53037588

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 1069932) is (4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is KQBLXIUMTYRCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O/c18-14-6-4-13(5-7-14)17(22)21-10-8-20(9-11-21)16-3-1-2-15(19)12-16/h1-7,12H,8-11H2.
What are the key properties of (4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 379.69 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1069932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).