3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine

C19H22N2S — CID 3064151

IUPAC3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine
SMILESCc1ccc2c(c1)Sc1ccccc1N2C1CCCN(C)C1
InChIInChI=1S/C19H22N2S/c1-14-9-10-17-19(12-14)22-18-8-4-3-7-16(18)21(17)15-6-5-11-20(2)13-15/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3
InChIKeyNBHFJJYNKNZDEA-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.69
Rot. Bonds1

About 3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine

3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine (PubChem CID 3064151) has the molecular formula C19H22N2S and a molecular weight of 310.47 g/mol. Its IUPAC name is 3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine.

Molecular Properties

Compound Name3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine
PubChem CID3064151
Molecular FormulaC19H22N2S
Molecular Weight310.47 g/mol
Exact Mass310.15
IUPAC Name3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine
SMILESCc1ccc2c(c1)Sc1ccccc1N2C1CCCN(C)C1
InChIInChI=1S/C19H22N2S/c1-14-9-10-17-19(12-14)22-18-8-4-3-7-16(18)21(17)15-6-5-11-20(2)13-15/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3
InChIKeyNBHFJJYNKNZDEA-UHFFFAOYSA-N
XLogP4.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine?
The IUPAC name of 3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine (CID 3064151) is 3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine.
What is the SMILES notation for 3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine?
The canonical SMILES for 3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine is Cc1ccc2c(c1)Sc1ccccc1N2C1CCCN(C)C1.
What is the InChIKey of 3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine?
The InChIKey is NBHFJJYNKNZDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2S/c1-14-9-10-17-19(12-14)22-18-8-4-3-7-16(18)21(17)15-6-5-11-20(2)13-15/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3.
What are the key properties of 3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine?
3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine has a molecular weight of 310.47 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-(1-methylpiperidin-3-yl)phenothiazine is sourced from PubChem (CID 3064151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).