1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol

C21H23F3N2OS — CID 59372967

IUPAC1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol
SMILESOC1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C21H23F3N2OS/c22-21(23,24)15-6-7-20-18(14-15)26(17-4-1-2-5-19(17)28-20)11-3-10-25-12-8-16(27)9-13-25/h1-2,4-7,14,16,27H,3,8-13H2
InChIKeyIDXIZMQMJOBRKW-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.15
Rot. Bonds4

About 1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol

1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol (PubChem CID 59372967) has the molecular formula C21H23F3N2OS and a molecular weight of 408.49 g/mol. Its IUPAC name is 1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol
PubChem CID59372967
Molecular FormulaC21H23F3N2OS
Molecular Weight408.49 g/mol
Exact Mass408.15
IUPAC Name1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol
SMILESOC1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C21H23F3N2OS/c22-21(23,24)15-6-7-20-18(14-15)26(17-4-1-2-5-19(17)28-20)11-3-10-25-12-8-16(27)9-13-25/h1-2,4-7,14,16,27H,3,8-13H2
InChIKeyIDXIZMQMJOBRKW-UHFFFAOYSA-N
XLogP5.15
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol (CID 59372967) is 1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol is OC1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.
What is the InChIKey of 1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol?
The InChIKey is IDXIZMQMJOBRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2OS/c22-21(23,24)15-6-7-20-18(14-15)26(17-4-1-2-5-19(17)28-20)11-3-10-25-12-8-16(27)9-13-25/h1-2,4-7,14,16,27H,3,8-13H2.
What are the key properties of 1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol?
1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol has a molecular weight of 408.49 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol is sourced from PubChem (CID 59372967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).