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

C18H18BrClN2O — CID 19325535

IUPAC(3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18BrClN2O/c19-16-3-1-2-15(12-16)18(23)22-10-8-21(9-11-22)13-14-4-6-17(20)7-5-14/h1-7,12H,8-11,13H2
InChIKeyHRLCEIIBTXGREG-UHFFFAOYSA-N
MW393.71 g/mol
LogP4.06
Rot. Bonds3

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

(3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19325535) has the molecular formula C18H18BrClN2O and a molecular weight of 393.71 g/mol. Its IUPAC name is (3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19325535
Molecular FormulaC18H18BrClN2O
Molecular Weight393.71 g/mol
Exact Mass392.03
IUPAC Name(3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18BrClN2O/c19-16-3-1-2-15(12-16)18(23)22-10-8-21(9-11-22)13-14-4-6-17(20)7-5-14/h1-7,12H,8-11,13H2
InChIKeyHRLCEIIBTXGREG-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

(4-benzyl-1,4-diazepan-1-yl)-(3-bromophenyl)methanone
CID 23765712
(3-bromophenyl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329650
(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 873489
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-hexan-3-ylphenyl)methanone
CID 142994026
[3-[(3-bromophenoxy)methyl]phenyl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19323572
[4-[(4-bromophenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone;oxalic acid
CID 17366433
(4-benzylpiperazin-1-yl)-[3-[(3-bromophenoxy)methyl]phenyl]methanone
CID 19289234
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 764804
(3-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366065
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 60505787
N-[3-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 37079087
(3-bromophenyl)-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
CID 3944414

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 19325535) is (3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is HRLCEIIBTXGREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O/c19-16-3-1-2-15(12-16)18(23)22-10-8-21(9-11-22)13-14-4-6-17(20)7-5-14/h1-7,12H,8-11,13H2.
What are the key properties of (3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
(3-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 (3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19325535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).