(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C19H21FN2O3 — CID 3148007

IUPAC(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)c(OC)c1
InChIInChI=1S/C19H21FN2O3/c1-24-14-7-8-15(18(13-14)25-2)19(23)22-11-9-21(10-12-22)17-6-4-3-5-16(17)20/h3-8,13H,9-12H2,1-2H3
InChIKeyHLRTYPMCMRJHMP-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.81
Rot. Bonds4

About (2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 3148007) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID3148007
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)c(OC)c1
InChIInChI=1S/C19H21FN2O3/c1-24-14-7-8-15(18(13-14)25-2)19(23)22-11-9-21(10-12-22)17-6-4-3-5-16(17)20/h3-8,13H,9-12H2,1-2H3
InChIKeyHLRTYPMCMRJHMP-UHFFFAOYSA-N
XLogP2.81
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113077801
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
(4,5-dimethoxy-2-nitrophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1312765
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
2-(2,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 22333973
[4-(2-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51155040
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2903698

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 3148007) is (2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is HLRTYPMCMRJHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-24-14-7-8-15(18(13-14)25-2)19(23)22-11-9-21(10-12-22)17-6-4-3-5-16(17)20/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 344.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3148007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).