(3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C19H21FN2O3 — CID 650236

IUPAC(3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C19H21FN2O3/c1-24-15-11-14(12-16(13-15)25-2)19(23)22-9-7-21(8-10-22)18-6-4-3-5-17(18)20/h3-6,11-13H,7-10H2,1-2H3
InChIKeyMVOVSEFPEATNCG-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.81
Rot. Bonds4

About (3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 650236) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID650236
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C19H21FN2O3/c1-24-15-11-14(12-16(13-15)25-2)19(23)22-9-7-21(8-10-22)18-6-4-3-5-17(18)20/h3-6,11-13H,7-10H2,1-2H3
InChIKeyMVOVSEFPEATNCG-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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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 650236) is (3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is MVOVSEFPEATNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-24-15-11-14(12-16(13-15)25-2)19(23)22-9-7-21(8-10-22)18-6-4-3-5-17(18)20/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(3,5-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 (3,5-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 650236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).