10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine

C20H24N2S — CID 18718429

IUPAC10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine
SMILESCCC1CCN(CN2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C20H24N2S/c1-2-16-11-13-21(14-12-16)15-22-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)22/h3-10,16H,2,11-15H2,1H3
InChIKeyAOJMTXSAORRYIE-UHFFFAOYSA-N
MW324.49 g/mol
LogP5.37
Rot. Bonds3

About 10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine

10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine (PubChem CID 18718429) has the molecular formula C20H24N2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine.

Molecular Properties

Compound Name10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine
PubChem CID18718429
Molecular FormulaC20H24N2S
Molecular Weight324.49 g/mol
Exact Mass324.17
IUPAC Name10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine
SMILESCCC1CCN(CN2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C20H24N2S/c1-2-16-11-13-21(14-12-16)15-22-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)22/h3-10,16H,2,11-15H2,1H3
InChIKeyAOJMTXSAORRYIE-UHFFFAOYSA-N
XLogP5.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.49
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine?
The IUPAC name of 10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine (CID 18718429) is 10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine.
What is the SMILES notation for 10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine?
The canonical SMILES for 10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine is CCC1CCN(CN2c3ccccc3Sc3ccccc32)CC1.
What is the InChIKey of 10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine?
The InChIKey is AOJMTXSAORRYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2S/c1-2-16-11-13-21(14-12-16)15-22-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)22/h3-10,16H,2,11-15H2,1H3.
What are the key properties of 10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine?
10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine has a molecular weight of 324.49 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine is sourced from PubChem (CID 18718429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).