(2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone

C18H19FN2O — CID 82252045

IUPAC(2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccccc2F)C(c2ccccc2)CN1
InChIInChI=1S/C18H19FN2O/c1-13-12-21(18(22)15-9-5-6-10-16(15)19)17(11-20-13)14-7-3-2-4-8-14/h2-10,13,17,20H,11-12H2,1H3
InChIKeyUZCBIMSSYJKFBX-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.00
Rot. Bonds2

About (2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone

(2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 82252045) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is (2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone
PubChem CID82252045
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name(2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccccc2F)C(c2ccccc2)CN1
InChIInChI=1S/C18H19FN2O/c1-13-12-21(18(22)15-9-5-6-10-16(15)19)17(11-20-13)14-7-3-2-4-8-14/h2-10,13,17,20H,11-12H2,1H3
InChIKeyUZCBIMSSYJKFBX-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone (CID 82252045) is (2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccccc2F)C(c2ccccc2)CN1.
What is the InChIKey of (2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is UZCBIMSSYJKFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-13-12-21(18(22)15-9-5-6-10-16(15)19)17(11-20-13)14-7-3-2-4-8-14/h2-10,13,17,20H,11-12H2,1H3.
What are the key properties of (2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone?
(2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 298.36 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 82252045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).