[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone

C17H17FN2O — CID 2261366

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H17FN2O/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyPPLALPPAQCOPPI-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.79
Rot. Bonds2

About [4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone

[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone (PubChem CID 2261366) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone
PubChem CID2261366
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H17FN2O/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyPPLALPPAQCOPPI-UHFFFAOYSA-N
XLogP2.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone (CID 2261366) is [4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is PPLALPPAQCOPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone?
[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 284.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 2261366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).