[4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione

C19H23N3S — CID 660327

IUPAC[4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione
SMILESCN(C)c1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3S/c1-20(2)17-10-8-16(9-11-17)19(23)22-14-12-21(13-15-22)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3
InChIKeyNWGDPOFKYBSRFM-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.25
Rot. Bonds3

About [4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione

[4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione (PubChem CID 660327) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione
PubChem CID660327
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name[4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione
SMILESCN(C)c1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3S/c1-20(2)17-10-8-16(9-11-17)19(23)22-14-12-21(13-15-22)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3
InChIKeyNWGDPOFKYBSRFM-UHFFFAOYSA-N
XLogP3.25
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione?
The IUPAC name of [4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione (CID 660327) is [4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione?
The canonical SMILES for [4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione is CN(C)c1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione?
The InChIKey is NWGDPOFKYBSRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-20(2)17-10-8-16(9-11-17)19(23)22-14-12-21(13-15-22)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione?
[4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione has a molecular weight of 325.48 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanethione is sourced from PubChem (CID 660327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).