(2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone

C18H17BrCl2N2O — CID 19327543

IUPAC(2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H17BrCl2N2O/c19-15-5-2-1-4-13(15)18(24)23-10-8-22(9-11-23)12-14-16(20)6-3-7-17(14)21/h1-7H,8-12H2
InChIKeyLVOQSRVZRHCUGD-UHFFFAOYSA-N
MW428.16 g/mol
LogP4.71
Rot. Bonds3

About (2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone

(2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19327543) has the molecular formula C18H17BrCl2N2O and a molecular weight of 428.16 g/mol. Its IUPAC name is (2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19327543
Molecular FormulaC18H17BrCl2N2O
Molecular Weight428.16 g/mol
Exact Mass425.99
IUPAC Name(2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H17BrCl2N2O/c19-15-5-2-1-4-13(15)18(24)23-10-8-22(9-11-23)12-14-16(20)6-3-7-17(14)21/h1-7H,8-12H2
InChIKeyLVOQSRVZRHCUGD-UHFFFAOYSA-N
XLogP4.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.16
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone
CID 19329456
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152970
(2,3-dichlorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325337
(2,3-dichlorophenyl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291232
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 19329376
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422478
2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110835

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone (CID 19327543) is (2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccccc1Br)N1CCN(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of (2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is LVOQSRVZRHCUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrCl2N2O/c19-15-5-2-1-4-13(15)18(24)23-10-8-22(9-11-23)12-14-16(20)6-3-7-17(14)21/h1-7H,8-12H2.
What are the key properties of (2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone?
(2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 428.16 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19327543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).