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

C18H18BrClN2O — CID 19325390

IUPAC(4-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18BrClN2O/c19-16-5-3-15(4-6-16)18(23)22-11-9-21(10-12-22)13-14-1-7-17(20)8-2-14/h1-8H,9-13H2
InChIKeyUFGJZKRGCIMLOF-UHFFFAOYSA-N
MW393.71 g/mol
LogP4.06
Rot. Bonds3

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

(4-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19325390) has the molecular formula C18H18BrClN2O and a molecular weight of 393.71 g/mol. Its IUPAC name is (4-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19325390
Molecular FormulaC18H18BrClN2O
Molecular Weight393.71 g/mol
Exact Mass392.03
IUPAC Name(4-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18BrClN2O/c19-16-5-3-15(4-6-16)18(23)22-11-9-21(10-12-22)13-14-1-7-17(20)8-2-14/h1-8H,9-13H2
InChIKeyUFGJZKRGCIMLOF-UHFFFAOYSA-N
XLogP4.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.71
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(4-bromophenyl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 73169083
1-Benzyl-4-(3-chlorobenzoyl)piperazine
CID 720140
1-(4-Chlorobenzoyl)-4-methylpiperazine
CID 792974
N-[2-(4-bromophenyl)-2-oxoethyl]-4-chlorobenzamide
CID 335179
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide hydrochloride
CID 14783875
1-(3-Chlorobenzoyl)-4-(2-fluorobenzoyl)piperazine
CID 660542
(E)-1-(4-benzoylpiperazin-1-yl)-3-(4-bromophenyl)prop-2-en-1-one
CID 73330413
(E)-3-(4-bromophenyl)-1-[4-(4-chlorobenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 73330414
4-Benzyl-1-(4-bromobenzoyl)piperidine
CID 984595
[4-(3-Bromo-benzoyl)-piperazin-1-yl]-(3-bromo-phenyl)-methanone
CID 237579
1-(3-Chlorobenzoyl)-4-(2-fluorobenzyl)piperazine
CID 717254
(4-Benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone
CID 1209997

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 19325390) is (4-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(Br)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is UFGJZKRGCIMLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O/c19-16-5-3-15(4-6-16)18(23)22-11-9-21(10-12-22)13-14-1-7-17(20)8-2-14/h1-8H,9-13H2.
What are the key properties of (4-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
(4-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 393.71 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19325390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).