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

C19H21FN2O — CID 925290

IUPAC(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C19H21FN2O/c1-14-7-8-16(15(2)13-14)19(23)22-11-9-21(10-12-22)18-6-4-3-5-17(18)20/h3-8,13H,9-12H2,1-2H3
InChIKeyFCODOMZMIYEOEF-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.40
Rot. Bonds2

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

(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 925290) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID925290
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C19H21FN2O/c1-14-7-8-16(15(2)13-14)19(23)22-11-9-21(10-12-22)18-6-4-3-5-17(18)20/h3-8,13H,9-12H2,1-2H3
InChIKeyFCODOMZMIYEOEF-UHFFFAOYSA-N
XLogP3.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 925290) is (2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is FCODOMZMIYEOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-14-7-8-16(15(2)13-14)19(23)22-11-9-21(10-12-22)18-6-4-3-5-17(18)20/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 312.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 925290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).