4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine

C26H32F3N3OS — CID 135264627

IUPAC4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine
SMILESFC(F)(F)c1ccc2c(c1)N(CCCCN1CCC(N3CCOCC3)CC1)c1ccccc1S2
InChIInChI=1S/C26H32F3N3OS/c27-26(28,29)20-7-8-25-23(19-20)32(22-5-1-2-6-24(22)34-25)12-4-3-11-30-13-9-21(10-14-30)31-15-17-33-18-16-31/h1-2,5-8,19,21H,3-4,9-18H2
InChIKeyDCOREAZQNUSYDA-UHFFFAOYSA-N
MW491.62 g/mol
LogP5.88
Rot. Bonds6

About 4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine

4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine (PubChem CID 135264627) has the molecular formula C26H32F3N3OS and a molecular weight of 491.62 g/mol. Its IUPAC name is 4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine
PubChem CID135264627
Molecular FormulaC26H32F3N3OS
Molecular Weight491.62 g/mol
Exact Mass491.22
IUPAC Name4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine
SMILESFC(F)(F)c1ccc2c(c1)N(CCCCN1CCC(N3CCOCC3)CC1)c1ccccc1S2
InChIInChI=1S/C26H32F3N3OS/c27-26(28,29)20-7-8-25-23(19-20)32(22-5-1-2-6-24(22)34-25)12-4-3-11-30-13-9-21(10-14-30)31-15-17-33-18-16-31/h1-2,5-8,19,21H,3-4,9-18H2
InChIKeyDCOREAZQNUSYDA-UHFFFAOYSA-N
XLogP5.88
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.62
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine (CID 135264627) is 4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine is FC(F)(F)c1ccc2c(c1)N(CCCCN1CCC(N3CCOCC3)CC1)c1ccccc1S2.
What is the InChIKey of 4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine?
The InChIKey is DCOREAZQNUSYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3OS/c27-26(28,29)20-7-8-25-23(19-20)32(22-5-1-2-6-24(22)34-25)12-4-3-11-30-13-9-21(10-14-30)31-15-17-33-18-16-31/h1-2,5-8,19,21H,3-4,9-18H2.
What are the key properties of 4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine?
4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine has a molecular weight of 491.62 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[2-(trifluoromethyl)phenothiazin-10-yl]butyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 135264627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).