3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

C19H21FN2O — CID 2993486

IUPAC3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21FN2O/c20-18-9-5-4-6-16(18)10-11-19(23)22-14-12-21(13-15-22)17-7-2-1-3-8-17/h1-9H,10-15H2
InChIKeyQOKSWVSOJBJXEH-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.11
Rot. Bonds4

About 3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 2993486) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID2993486
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21FN2O/c20-18-9-5-4-6-16(18)10-11-19(23)22-14-12-21(13-15-22)17-7-2-1-3-8-17/h1-9H,10-15H2
InChIKeyQOKSWVSOJBJXEH-UHFFFAOYSA-N
XLogP3.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 2993486) is 3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is O=C(CCc1ccccc1F)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is QOKSWVSOJBJXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-18-9-5-4-6-16(18)10-11-19(23)22-14-12-21(13-15-22)17-7-2-1-3-8-17/h1-9H,10-15H2.
What are the key properties of 3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 312.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 2993486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).