(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

C21H26N2O — CID 24725485

IUPAC(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCc1ccc(C(=O)c2ccccc2CN2CCN(C)CC2)cc1C
InChIInChI=1S/C21H26N2O/c1-16-8-9-18(14-17(16)2)21(24)20-7-5-4-6-19(20)15-23-12-10-22(3)11-13-23/h4-9,14H,10-13,15H2,1-3H3
InChIKeyBAJFXABCJIGHKM-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.28
Rot. Bonds4

About (3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (PubChem CID 24725485) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
PubChem CID24725485
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCc1ccc(C(=O)c2ccccc2CN2CCN(C)CC2)cc1C
InChIInChI=1S/C21H26N2O/c1-16-8-9-18(14-17(16)2)21(24)20-7-5-4-6-19(20)15-23-12-10-22(3)11-13-23/h4-9,14H,10-13,15H2,1-3H3
InChIKeyBAJFXABCJIGHKM-UHFFFAOYSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725476
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
sodium 2-[(4-methylpiperazin-1-yl)methyl]benzoate
CID 139934477
2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 117408476
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
CID 24725316
(4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725495
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943
2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 86919755
(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724584
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725221

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (CID 24725485) is (3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is Cc1ccc(C(=O)c2ccccc2CN2CCN(C)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The InChIKey is BAJFXABCJIGHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-8-9-18(14-17(16)2)21(24)20-7-5-4-6-19(20)15-23-12-10-22(3)11-13-23/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone has a molecular weight of 322.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 24725485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).