1-(3-piperazin-1-ylpropyl)-10H-phenothiazine

C19H23N3S — CID 54277461

IUPAC1-(3-piperazin-1-ylpropyl)-10H-phenothiazine
SMILESc1ccc2c(c1)Nc1c(CCCN3CCNCC3)cccc1S2
InChIInChI=1S/C19H23N3S/c1-2-8-17-16(7-1)21-19-15(5-3-9-18(19)23-17)6-4-12-22-13-10-20-11-14-22/h1-3,5,7-9,20-21H,4,6,10-14H2
InChIKeyROKAZBPRPXCMJD-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.73
Rot. Bonds4

About 1-(3-piperazin-1-ylpropyl)-10H-phenothiazine

1-(3-piperazin-1-ylpropyl)-10H-phenothiazine (PubChem CID 54277461) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-(3-piperazin-1-ylpropyl)-10H-phenothiazine.

Molecular Properties

Compound Name1-(3-piperazin-1-ylpropyl)-10H-phenothiazine
PubChem CID54277461
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name1-(3-piperazin-1-ylpropyl)-10H-phenothiazine
SMILESc1ccc2c(c1)Nc1c(CCCN3CCNCC3)cccc1S2
InChIInChI=1S/C19H23N3S/c1-2-8-17-16(7-1)21-19-15(5-3-9-18(19)23-17)6-4-12-22-13-10-20-11-14-22/h1-3,5,7-9,20-21H,4,6,10-14H2
InChIKeyROKAZBPRPXCMJD-UHFFFAOYSA-N
XLogP3.73
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-piperazin-1-ylpropyl)-10H-phenothiazine?
The IUPAC name of 1-(3-piperazin-1-ylpropyl)-10H-phenothiazine (CID 54277461) is 1-(3-piperazin-1-ylpropyl)-10H-phenothiazine.
What is the SMILES notation for 1-(3-piperazin-1-ylpropyl)-10H-phenothiazine?
The canonical SMILES for 1-(3-piperazin-1-ylpropyl)-10H-phenothiazine is c1ccc2c(c1)Nc1c(CCCN3CCNCC3)cccc1S2.
What is the InChIKey of 1-(3-piperazin-1-ylpropyl)-10H-phenothiazine?
The InChIKey is ROKAZBPRPXCMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-2-8-17-16(7-1)21-19-15(5-3-9-18(19)23-17)6-4-12-22-13-10-20-11-14-22/h1-3,5,7-9,20-21H,4,6,10-14H2.
What are the key properties of 1-(3-piperazin-1-ylpropyl)-10H-phenothiazine?
1-(3-piperazin-1-ylpropyl)-10H-phenothiazine has a molecular weight of 325.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperazin-1-ylpropyl)-10H-phenothiazine is sourced from PubChem (CID 54277461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).