(4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone

C24H22N2O2 — CID 1220269

IUPAC(4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H22N2O2/c27-24(26-16-14-25(15-17-26)18-8-2-1-3-9-18)23-19-10-4-6-12-21(19)28-22-13-7-5-11-20(22)23/h1-13,23H,14-17H2
InChIKeyMYYHZQAOMHHQBR-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.27
Rot. Bonds2

About (4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone

(4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone (PubChem CID 1220269) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone
PubChem CID1220269
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name(4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H22N2O2/c27-24(26-16-14-25(15-17-26)18-8-2-1-3-9-18)23-19-10-4-6-12-21(19)28-22-13-7-5-11-20(22)23/h1-13,23H,14-17H2
InChIKeyMYYHZQAOMHHQBR-UHFFFAOYSA-N
XLogP4.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone (CID 1220269) is (4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone is O=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone?
The InChIKey is MYYHZQAOMHHQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-24(26-16-14-25(15-17-26)18-8-2-1-3-9-18)23-19-10-4-6-12-21(19)28-22-13-7-5-11-20(22)23/h1-13,23H,14-17H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone?
(4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone has a molecular weight of 370.45 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 1220269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).