(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone

C17H17BrN2O — CID 1355446

IUPAC(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H17BrN2O/c18-15-6-4-5-14(13-15)17(21)20-11-9-19(10-12-20)16-7-2-1-3-8-16/h1-8,13H,9-12H2
InChIKeyAXUIUNPFGLTYDT-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.41
Rot. Bonds2

About (3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone

(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1355446) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is (3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID1355446
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H17BrN2O/c18-15-6-4-5-14(13-15)17(21)20-11-9-19(10-12-20)16-7-2-1-3-8-16/h1-8,13H,9-12H2
InChIKeyAXUIUNPFGLTYDT-UHFFFAOYSA-N
XLogP3.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
(3-bromophenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone
CID 113076847
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone
CID 110364856
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide
CID 110637812
N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-bromobenzamide
CID 17317366
(3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91914523
(2-amino-5-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1254100
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 17175869
(3-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516750
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 18069676

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone (CID 1355446) is (3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1cccc(Br)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is AXUIUNPFGLTYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c18-15-6-4-5-14(13-15)17(21)20-11-9-19(10-12-20)16-7-2-1-3-8-16/h1-8,13H,9-12H2.
What are the key properties of (3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone?
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 345.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1355446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).