3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine

C20H24N2OS — CID 3064149

IUPAC3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
SMILESCOc1ccc2c(c1)Sc1ccccc1N2CC1CCCN(C)C1
InChIInChI=1S/C20H24N2OS/c1-21-11-5-6-15(13-21)14-22-17-7-3-4-8-19(17)24-20-12-16(23-2)9-10-18(20)22/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3
InChIKeyCNRIXYDXYSOWJI-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.64
Rot. Bonds3

About 3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine

3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine (PubChem CID 3064149) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine.

Molecular Properties

Compound Name3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
PubChem CID3064149
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
SMILESCOc1ccc2c(c1)Sc1ccccc1N2CC1CCCN(C)C1
InChIInChI=1S/C20H24N2OS/c1-21-11-5-6-15(13-21)14-22-17-7-3-4-8-19(17)24-20-12-16(23-2)9-10-18(20)22/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3
InChIKeyCNRIXYDXYSOWJI-UHFFFAOYSA-N
XLogP4.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

Analyze 3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine 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 3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine?
The IUPAC name of 3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine (CID 3064149) is 3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine.
What is the SMILES notation for 3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine?
The canonical SMILES for 3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine is COc1ccc2c(c1)Sc1ccccc1N2CC1CCCN(C)C1.
What is the InChIKey of 3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine?
The InChIKey is CNRIXYDXYSOWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-21-11-5-6-15(13-21)14-22-17-7-3-4-8-19(17)24-20-12-16(23-2)9-10-18(20)22/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3.
What are the key properties of 3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine?
3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine has a molecular weight of 340.49 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine is sourced from PubChem (CID 3064149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).