2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol

C21H26N2OS — CID 90203365

IUPAC2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol
SMILESCCc1ccc2c(c1O)N(CC1CCCN(C)C1)c1ccccc1S2
InChIInChI=1S/C21H26N2OS/c1-3-16-10-11-19-20(21(16)24)23(14-15-7-6-12-22(2)13-15)17-8-4-5-9-18(17)25-19/h4-5,8-11,15,24H,3,6-7,12-14H2,1-2H3
InChIKeyFBSHQNPVZIAARW-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.90
Rot. Bonds3

About 2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol

2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol (PubChem CID 90203365) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is 2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol.

Molecular Properties

Compound Name2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol
PubChem CID90203365
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol
SMILESCCc1ccc2c(c1O)N(CC1CCCN(C)C1)c1ccccc1S2
InChIInChI=1S/C21H26N2OS/c1-3-16-10-11-19-20(21(16)24)23(14-15-7-6-12-22(2)13-15)17-8-4-5-9-18(17)25-19/h4-5,8-11,15,24H,3,6-7,12-14H2,1-2H3
InChIKeyFBSHQNPVZIAARW-UHFFFAOYSA-N
XLogP4.90
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol?
The IUPAC name of 2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol (CID 90203365) is 2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol.
What is the SMILES notation for 2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol?
The canonical SMILES for 2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol is CCc1ccc2c(c1O)N(CC1CCCN(C)C1)c1ccccc1S2.
What is the InChIKey of 2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol?
The InChIKey is FBSHQNPVZIAARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-3-16-10-11-19-20(21(16)24)23(14-15-7-6-12-22(2)13-15)17-8-4-5-9-18(17)25-19/h4-5,8-11,15,24H,3,6-7,12-14H2,1-2H3.
What are the key properties of 2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol?
2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol has a molecular weight of 354.52 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol is sourced from PubChem (CID 90203365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).