(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

C19H21BrN2O — CID 24725476

IUPAC(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCN1CCN(Cc2ccccc2C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H21BrN2O/c1-21-10-12-22(13-11-21)14-16-4-2-3-5-18(16)19(23)15-6-8-17(20)9-7-15/h2-9H,10-14H2,1H3
InChIKeyKMWNYNGALKAJGS-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.43
Rot. Bonds4

About (4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (PubChem CID 24725476) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is (4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
PubChem CID24725476
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCN1CCN(Cc2ccccc2C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H21BrN2O/c1-21-10-12-22(13-11-21)14-16-4-2-3-5-18(16)19(23)15-6-8-17(20)9-7-15/h2-9H,10-14H2,1H3
InChIKeyKMWNYNGALKAJGS-UHFFFAOYSA-N
XLogP3.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725485
(4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725495
sodium 2-[(4-methylpiperazin-1-yl)methyl]benzoate
CID 139934477
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724584
2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 117408476
[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308
(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725191
(2-benzylphenyl)-(4-bromophenyl)methanone
CID 141365768
(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725260
(4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725410
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
CID 24725316

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The IUPAC name of (4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (CID 24725476) is (4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is CN1CCN(Cc2ccccc2C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of (4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The InChIKey is KMWNYNGALKAJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-21-10-12-22(13-11-21)14-16-4-2-3-5-18(16)19(23)15-6-8-17(20)9-7-15/h2-9H,10-14H2,1H3.
What are the key properties of (4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone has a molecular weight of 373.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 24725476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).