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

C19H21FN2O3 — CID 113077801

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

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

[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 113077801) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is [4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID113077801
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCOc1ccc(OC)c(N2CCN(C(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C19H21FN2O3/c1-24-14-7-8-18(25-2)17(13-14)21-9-11-22(12-10-21)19(23)15-5-3-4-6-16(15)20/h3-8,13H,9-12H2,1-2H3
InChIKeyKEUSBMRFJHKEDF-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

(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
3-[4-(2-fluorobenzoyl)piperazin-1-yl]-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 46088157
(2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone
CID 113077809
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(2-bromo-5-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78849945
(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone
CID 113077542
3-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 46088491
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone (CID 113077801) is [4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone is COc1ccc(OC)c(N2CCN(C(=O)c3ccccc3F)CC2)c1.
What is the InChIKey of [4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is KEUSBMRFJHKEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-24-14-7-8-18(25-2)17(13-14)21-9-11-22(12-10-21)19(23)15-5-3-4-6-16(15)20/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)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 [4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 113077801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).