10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine

C22H29N3S — CID 70892769

IUPAC10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine
SMILESCC(C)c1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2
InChIInChI=1S/C22H29N3S/c1-17(2)18-8-9-22-20(16-18)25(19-6-3-4-7-21(19)26-22)13-5-12-24-14-10-23-11-15-24/h3-4,6-9,16-17,23H,5,10-15H2,1-2H3
InChIKeyLUQZSRVROHDCEO-UHFFFAOYSA-N
MW367.56 g/mol
LogP4.71
Rot. Bonds5

About 10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine

10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine (PubChem CID 70892769) has the molecular formula C22H29N3S and a molecular weight of 367.56 g/mol. Its IUPAC name is 10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine.

Molecular Properties

Compound Name10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine
PubChem CID70892769
Molecular FormulaC22H29N3S
Molecular Weight367.56 g/mol
Exact Mass367.21
IUPAC Name10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine
SMILESCC(C)c1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2
InChIInChI=1S/C22H29N3S/c1-17(2)18-8-9-22-20(16-18)25(19-6-3-4-7-21(19)26-22)13-5-12-24-14-10-23-11-15-24/h3-4,6-9,16-17,23H,5,10-15H2,1-2H3
InChIKeyLUQZSRVROHDCEO-UHFFFAOYSA-N
XLogP4.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine?
The IUPAC name of 10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine (CID 70892769) is 10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine.
What is the SMILES notation for 10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine?
The canonical SMILES for 10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine is CC(C)c1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2.
What is the InChIKey of 10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine?
The InChIKey is LUQZSRVROHDCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3S/c1-17(2)18-8-9-22-20(16-18)25(19-6-3-4-7-21(19)26-22)13-5-12-24-14-10-23-11-15-24/h3-4,6-9,16-17,23H,5,10-15H2,1-2H3.
What are the key properties of 10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine?
10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine has a molecular weight of 367.56 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine is sourced from PubChem (CID 70892769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).