3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one

C23H27FN2O — CID 20689775

IUPAC3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC(CCCN2CCN(c3ccc(F)cc3)CC2)Cc2ccccc21
InChIInChI=1S/C23H27FN2O/c24-20-7-9-21(10-8-20)26-14-12-25(13-15-26)11-3-4-18-16-19-5-1-2-6-22(19)23(27)17-18/h1-2,5-10,18H,3-4,11-17H2
InChIKeyZYAAJTGEBWNTLO-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.17
Rot. Bonds5

About 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one

3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 20689775) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID20689775
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC(CCCN2CCN(c3ccc(F)cc3)CC2)Cc2ccccc21
InChIInChI=1S/C23H27FN2O/c24-20-7-9-21(10-8-20)26-14-12-25(13-15-26)11-3-4-18-16-19-5-1-2-6-22(19)23(27)17-18/h1-2,5-10,18H,3-4,11-17H2
InChIKeyZYAAJTGEBWNTLO-UHFFFAOYSA-N
XLogP4.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one (CID 20689775) is 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1CC(CCCN2CCN(c3ccc(F)cc3)CC2)Cc2ccccc21.
What is the InChIKey of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ZYAAJTGEBWNTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c24-20-7-9-21(10-8-20)26-14-12-25(13-15-26)11-3-4-18-16-19-5-1-2-6-22(19)23(27)17-18/h1-2,5-10,18H,3-4,11-17H2.
What are the key properties of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one?
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 366.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 20689775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).