[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone

C20H23FN2O — CID 110399164

IUPAC[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCc1ccc(C)c(CN2CCN(C(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C20H23FN2O/c1-15-7-8-16(2)17(13-15)14-22-9-11-23(12-10-22)20(24)18-5-3-4-6-19(18)21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyAHIRIVVTJXRPIO-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.40
Rot. Bonds3

About [4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone

[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 110399164) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is [4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID110399164
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCc1ccc(C)c(CN2CCN(C(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C20H23FN2O/c1-15-7-8-16(2)17(13-15)14-22-9-11-23(12-10-22)20(24)18-5-3-4-6-19(18)21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyAHIRIVVTJXRPIO-UHFFFAOYSA-N
XLogP3.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642232
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-(2,4-dimethylphenyl)methanone
CID 19292997
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone
CID 43047826
[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19327460
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 17249551
4-[4-[(2,5-dimethylphenyl)methyl]piperazine-1-carbonyl]benzamide
CID 167850936
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365044
(3,5-dimethoxyphenyl)-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]methanone
CID 110399171
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 110815318
(2-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122393
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone (CID 110399164) is [4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone is Cc1ccc(C)c(CN2CCN(C(=O)c3ccccc3F)CC2)c1.
What is the InChIKey of [4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is AHIRIVVTJXRPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-15-7-8-16(2)17(13-15)14-22-9-11-23(12-10-22)20(24)18-5-3-4-6-19(18)21/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of [4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 326.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 110399164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).