4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine

C23H27NOS — CID 10126218

IUPAC4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine
SMILESCOc1cccc2c1C(=C1CCN(C)CC1)c1ccc(C(C)C)cc1S2
InChIInChI=1S/C23H27NOS/c1-15(2)17-8-9-18-21(14-17)26-20-7-5-6-19(25-4)23(20)22(18)16-10-12-24(3)13-11-16/h5-9,14-15H,10-13H2,1-4H3
InChIKeyXWOIDMWRCUFUQE-UHFFFAOYSA-N
MW365.54 g/mol
LogP5.81
Rot. Bonds2

About 4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine

4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine (PubChem CID 10126218) has the molecular formula C23H27NOS and a molecular weight of 365.54 g/mol. Its IUPAC name is 4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine.

Molecular Properties

Compound Name4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine
PubChem CID10126218
Molecular FormulaC23H27NOS
Molecular Weight365.54 g/mol
Exact Mass365.18
IUPAC Name4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine
SMILESCOc1cccc2c1C(=C1CCN(C)CC1)c1ccc(C(C)C)cc1S2
InChIInChI=1S/C23H27NOS/c1-15(2)17-8-9-18-21(14-17)26-20-7-5-6-19(25-4)23(20)22(18)16-10-12-24(3)13-11-16/h5-9,14-15H,10-13H2,1-4H3
InChIKeyXWOIDMWRCUFUQE-UHFFFAOYSA-N
XLogP5.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.54
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

Analyze 4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine 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-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine?
The IUPAC name of 4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine (CID 10126218) is 4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine.
What is the SMILES notation for 4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine?
The canonical SMILES for 4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine is COc1cccc2c1C(=C1CCN(C)CC1)c1ccc(C(C)C)cc1S2.
What is the InChIKey of 4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine?
The InChIKey is XWOIDMWRCUFUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NOS/c1-15(2)17-8-9-18-21(14-17)26-20-7-5-6-19(25-4)23(20)22(18)16-10-12-24(3)13-11-16/h5-9,14-15H,10-13H2,1-4H3.
What are the key properties of 4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine?
4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine has a molecular weight of 365.54 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxy-6-propan-2-ylthioxanthen-9-ylidene)-1-methylpiperidine is sourced from PubChem (CID 10126218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).