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

C26H35N3OS — CID 135264183

IUPAC4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine
SMILESCc1ccc2c(c1)N(CCCCN1CCC(N3CCOCC3)CC1)c1ccccc1S2
InChIInChI=1S/C26H35N3OS/c1-21-8-9-26-24(20-21)29(23-6-2-3-7-25(23)31-26)13-5-4-12-27-14-10-22(11-15-27)28-16-18-30-19-17-28/h2-3,6-9,20,22H,4-5,10-19H2,1H3
InChIKeyMTIJFONKVFJGAX-UHFFFAOYSA-N
MW437.65 g/mol
LogP5.17
Rot. Bonds6

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

4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine (PubChem CID 135264183) has the molecular formula C26H35N3OS and a molecular weight of 437.65 g/mol. Its IUPAC name is 4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine
PubChem CID135264183
Molecular FormulaC26H35N3OS
Molecular Weight437.65 g/mol
Exact Mass437.25
IUPAC Name4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine
SMILESCc1ccc2c(c1)N(CCCCN1CCC(N3CCOCC3)CC1)c1ccccc1S2
InChIInChI=1S/C26H35N3OS/c1-21-8-9-26-24(20-21)29(23-6-2-3-7-25(23)31-26)13-5-4-12-27-14-10-22(11-15-27)28-16-18-30-19-17-28/h2-3,6-9,20,22H,4-5,10-19H2,1H3
InChIKeyMTIJFONKVFJGAX-UHFFFAOYSA-N
XLogP5.17
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.65
LogP ≤ 55.17
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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Related Compounds

4-[1-[3-(3-methylphenothiazin-10-yl)propyl]piperidin-4-yl]morpholine
CID 135264198
2-chloro-10-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]phenothiazine
CID 135251804
2-methylsulfanyl-10-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]phenothiazine
CID 135251866
2-chloro-10-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]phenothiazine
CID 135251810
2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
CID 67474879
2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-1-yl]ethanamine
CID 58080970
10-[4-[4-[(4-methylphenyl)methyl]piperidin-1-yl]butyl]phenothiazine
CID 57034307
2-fluoro-10-[4-(4-methylpiperidin-1-yl)butyl]phenothiazine
CID 135251826
bis((Z)-but-2-enedioic acid);2-methyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
CID 25111881
3-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]propane-1,2-diol
CID 160894276
10-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)hexyl]pyrido[3,2-b][1,4]benzothiazine
CID 127029435
2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine
CID 91189006

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine (CID 135264183) is 4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine is Cc1ccc2c(c1)N(CCCCN1CCC(N3CCOCC3)CC1)c1ccccc1S2.
What is the InChIKey of 4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine?
The InChIKey is MTIJFONKVFJGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3OS/c1-21-8-9-26-24(20-21)29(23-6-2-3-7-25(23)31-26)13-5-4-12-27-14-10-22(11-15-27)28-16-18-30-19-17-28/h2-3,6-9,20,22H,4-5,10-19H2,1H3.
What are the key properties of 4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine?
4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine has a molecular weight of 437.65 g/mol, XLogP of 5.17, 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-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 135264183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).